N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol

C23H36N2O — CID 143136691

IUPACN-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
SMILESCC.CO.c1ccc(NCC2CCC(CNc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2.C2H6.CH4O/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;2*1-2/h1-10,17-18,21-22H,11-16H2;1-2H3;2H,1H3
InChIKeyPRJMLCFWTDHXJP-UHFFFAOYSA-N
MW356.55 g/mol
LogP5.65
Rot. Bonds6

About N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol

N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol (PubChem CID 143136691) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
PubChem CID143136691
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
SMILESCC.CO.c1ccc(NCC2CCC(CNc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2.C2H6.CH4O/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;2*1-2/h1-10,17-18,21-22H,11-16H2;1-2H3;2H,1H3
InChIKeyPRJMLCFWTDHXJP-UHFFFAOYSA-N
XLogP5.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
CID 66837373
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
CID 146228787
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
1-anilino-3-cyclopropylpropan-2-one
CID 116555451
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
N-(bromomethyl)aniline
CID 66636223

Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol?
The IUPAC name of N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol (CID 143136691) is N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol.
What is the SMILES notation for N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol?
The canonical SMILES for N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol is CC.CO.c1ccc(NCC2CCC(CNc3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol?
The InChIKey is PRJMLCFWTDHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.C2H6.CH4O/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;2*1-2/h1-10,17-18,21-22H,11-16H2;1-2H3;2H,1H3.
What are the key properties of N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol?
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol has a molecular weight of 356.55 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol is sourced from PubChem (CID 143136691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).