HCID4003555

4-Adamantan-1-yl-2-methyl-phenylamine

4-(1-adamantyl)-2-methylaniline

C17H23N241.37 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N
InChIKey: CFALXUTWUMWNAV-UHFFFAOYSA-N
分子式: C17H23N
平均分子量: 241.37 g/mol
单同位素质量: 241.18304974

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 18
形式电荷: 0
复杂度: 293

ALIASES

名称与别名

共 18 条

4-Adamantan-1-yl-2-methyl-phenylamine4-(1-adamantyl)-2-methylaniline22947-40-62-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]anilineOprea1_198214Oprea1_607278SCHEMBL792713BBL026696MFCD01838207STL380785AKOS000103530AKOS000297381AKOS022061090VS-08409AB00983463-01SR-01000391270SR-01000391270-12-METHYL-4-[(3R,5S,7S)-ADAMANTAN-1-YL]ANILINE

REACTIONS

参与反应

2 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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