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

C29H35FN2 — CID 23826295

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
SMILESNCC1CCC(CN(Cc2ccc(F)cc2)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35FN2/c30-28-17-15-25(16-18-28)21-32(20-24-13-11-23(19-31)12-14-24)22-29(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-10,15-18,23-24,29H,11-14,19-22,31H2
InChIKeyPMJSWJANUNRWQH-UHFFFAOYSA-N
MW430.61 g/mol
LogP6.22
Rot. Bonds9

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

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine (PubChem CID 23826295) has the molecular formula C29H35FN2 and a molecular weight of 430.61 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
PubChem CID23826295
Molecular FormulaC29H35FN2
Molecular Weight430.61 g/mol
Exact Mass430.28
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
SMILESNCC1CCC(CN(Cc2ccc(F)cc2)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35FN2/c30-28-17-15-25(16-18-28)21-32(20-24-13-11-23(19-31)12-14-24)22-29(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-10,15-18,23-24,29H,11-14,19-22,31H2
InChIKeyPMJSWJANUNRWQH-UHFFFAOYSA-N
XLogP6.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
CID 23848664
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 23967295
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-(2,2-diphenylethyl)cyclohexyl]methanamine
CID 154511159
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine (CID 23826295) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine is NCC1CCC(CN(Cc2ccc(F)cc2)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine?
The InChIKey is PMJSWJANUNRWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2/c30-28-17-15-25(16-18-28)21-32(20-24-13-11-23(19-31)12-14-24)22-29(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-10,15-18,23-24,29H,11-14,19-22,31H2.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine has a molecular weight of 430.61 g/mol, XLogP of 6.22, 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-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine is sourced from PubChem (CID 23826295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).