[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

C22H28Cl2N2 — CID 142934507

IUPAC[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H28Cl2N2/c23-21-11-10-20(12-22(21)24)16-26(14-18-4-2-1-3-5-18)15-19-8-6-17(13-25)7-9-19/h1-5,10-12,17,19H,6-9,13-16,25H2
InChIKeyOVYMJDYYGSPFQN-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.76
Rot. Bonds7

About [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934507) has the molecular formula C22H28Cl2N2 and a molecular weight of 391.39 g/mol. Its IUPAC name is [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934507
Molecular FormulaC22H28Cl2N2
Molecular Weight391.39 g/mol
Exact Mass390.16
IUPAC Name[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H28Cl2N2/c23-21-11-10-20(12-22(21)24)16-26(14-18-4-2-1-3-5-18)15-19-8-6-17(13-25)7-9-19/h1-5,10-12,17,19H,6-9,13-16,25H2
InChIKeyOVYMJDYYGSPFQN-UHFFFAOYSA-N
XLogP5.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
CID 23848664
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934435

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934507) is [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is OVYMJDYYGSPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2/c23-21-11-10-20(12-22(21)24)16-26(14-18-4-2-1-3-5-18)15-19-8-6-17(13-25)7-9-19/h1-5,10-12,17,19H,6-9,13-16,25H2.
What are the key properties of [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 391.39 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).