N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine

C29H35ClN2 — CID 23848664

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
SMILESNCC1CCC(CN(Cc2cccc(Cl)c2)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35ClN2/c30-28-13-7-8-25(18-28)21-32(20-24-16-14-23(19-31)15-17-24)22-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-13,18,23-24,29H,14-17,19-22,31H2
InChIKeyFYNPSGMQLJUSPI-UHFFFAOYSA-N
MW447.07 g/mol
LogP6.74
Rot. Bonds9

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine (PubChem CID 23848664) has the molecular formula C29H35ClN2 and a molecular weight of 447.07 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
PubChem CID23848664
Molecular FormulaC29H35ClN2
Molecular Weight447.07 g/mol
Exact Mass446.25
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
SMILESNCC1CCC(CN(Cc2cccc(Cl)c2)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35ClN2/c30-28-13-7-8-25(18-28)21-32(20-24-16-14-23(19-31)15-17-24)22-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-13,18,23-24,29H,14-17,19-22,31H2
InChIKeyFYNPSGMQLJUSPI-UHFFFAOYSA-N
XLogP6.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.07
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541
3-chloroaniline;cyclopropylmethanamine
CID 69484094
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[[3-(aminomethyl)phenyl]methyl]-N-[(3-chlorophenyl)methyl]-1-cyclohexylmethanamine;2,2-difluoropropanoic acid
CID 142934256
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-(2,2-diphenylethyl)cyclohexyl]methanamine
CID 154511159

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine (CID 23848664) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine is NCC1CCC(CN(Cc2cccc(Cl)c2)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine?
The InChIKey is FYNPSGMQLJUSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2/c30-28-13-7-8-25(18-28)21-32(20-24-16-14-23(19-31)15-17-24)22-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-13,18,23-24,29H,14-17,19-22,31H2.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine has a molecular weight of 447.07 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine is sourced from PubChem (CID 23848664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).