[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine

C28H33ClN2O — CID 142934635

IUPAC[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C28H33ClN2O/c29-26-14-10-24(11-15-26)20-31(19-23-8-6-22(18-30)7-9-23)21-25-12-16-28(17-13-25)32-27-4-2-1-3-5-27/h1-5,10-17,22-23H,6-9,18-21,30H2
InChIKeyLGHUXYLTWBHPGZ-UHFFFAOYSA-N
MW449.04 g/mol
LogP6.90
Rot. Bonds9

About [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934635) has the molecular formula C28H33ClN2O and a molecular weight of 449.04 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934635
Molecular FormulaC28H33ClN2O
Molecular Weight449.04 g/mol
Exact Mass448.23
IUPAC Name[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C28H33ClN2O/c29-26-14-10-24(11-15-26)20-31(19-23-8-6-22(18-30)7-9-23)21-25-12-16-28(17-13-25)32-27-4-2-1-3-5-27/h1-5,10-17,22-23H,6-9,18-21,30H2
InChIKeyLGHUXYLTWBHPGZ-UHFFFAOYSA-N
XLogP6.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.04
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[(2-chloro-6-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 23992939
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934351
[4-[[1-benzofuran-2-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid
CID 142934534
phenyl N'-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-N-cyanocarbamimidate
CID 142934505
2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
CID 10432992
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
CID 23848664
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
N,N-dibenzyl-1-[4-(3-phenoxypropyl)cyclohexyl]methanamine
CID 58923763
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934635) is [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is LGHUXYLTWBHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O/c29-26-14-10-24(11-15-26)20-31(19-23-8-6-22(18-30)7-9-23)21-25-12-16-28(17-13-25)32-27-4-2-1-3-5-27/h1-5,10-17,22-23H,6-9,18-21,30H2.
What are the key properties of [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 449.04 g/mol, XLogP of 6.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).