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2-[4-(Aminomethyl)phenoxy]-N-(3-methylbutyl)acetamide

HCID 20121175
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
1016675-05-0
Standard SMILES
CC(C)CCNC(=O)COc1ccc(CN)cc1
InChIKey
VIRUXBXNXRKOLF-UHFFFAOYSA-N
Molecular formula
C14H22N2O2
Average molar mass
250.34 g/mol
Monoisotopic mass
250.16812795

Names & identifiers

Preferred name
2-[4-(Aminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
IUPAC
2-[4-(aminomethyl)phenoxy]-N-(3-methylbutyl)acetamide

Names & synonyms

2-[4-(AMINOMETHYL)PHENOXY]-N-(3-METHYLBUTYL)ACETAMIDEDTXSID601212612AKOS0001634281016675-05-0

Database identifiers

CAS
1016675-05-0
PubChem CID
20121175
DTXSID
DTXSID601212612

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Formal charge
0
Complexity
236

Related reactions

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Compound notes

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