[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

C28H33BrN2 — CID 142934313

IUPAC[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Br)cc2)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H33BrN2/c29-28-16-12-25(13-17-28)21-31(19-23-8-6-22(18-30)7-9-23)20-24-10-14-27(15-11-24)26-4-2-1-3-5-26/h1-5,10-17,22-23H,6-9,18-21,30H2
InChIKeyNPUZQWUHTGCAKM-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.88
Rot. Bonds8

About [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934313) has the molecular formula C28H33BrN2 and a molecular weight of 477.49 g/mol. Its IUPAC name is [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934313
Molecular FormulaC28H33BrN2
Molecular Weight477.49 g/mol
Exact Mass476.18
IUPAC Name[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Br)cc2)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H33BrN2/c29-28-16-12-25(13-17-28)21-31(19-23-8-6-22(18-30)7-9-23)20-24-10-14-27(15-11-24)26-4-2-1-3-5-26/h1-5,10-17,22-23H,6-9,18-21,30H2
InChIKeyNPUZQWUHTGCAKM-UHFFFAOYSA-N
XLogP6.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 23739965
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
N-[(4-bromophenyl)methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
CID 155521864
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 10459391
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934313) is [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(Br)cc2)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is NPUZQWUHTGCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33BrN2/c29-28-16-12-25(13-17-28)21-31(19-23-8-6-22(18-30)7-9-23)20-24-10-14-27(15-11-24)26-4-2-1-3-5-26/h1-5,10-17,22-23H,6-9,18-21,30H2.
What are the key properties of [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 477.49 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).