N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine

C19H30Cl2N2 — CID 142934317

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1
InChIInChI=1S/C19H30Cl2N2/c1-14(2)11-23(12-16-5-3-15(10-22)4-6-16)13-17-7-8-18(20)19(21)9-17/h7-9,14-16H,3-6,10-13,22H2,1-2H3
InChIKeyANOJRBUKVXZVOM-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.22
Rot. Bonds7

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 142934317) has the molecular formula C19H30Cl2N2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID142934317
Molecular FormulaC19H30Cl2N2
Molecular Weight357.37 g/mol
Exact Mass356.18
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1
InChIInChI=1S/C19H30Cl2N2/c1-14(2)11-23(12-16-5-3-15(10-22)4-6-16)13-17-7-8-18(20)19(21)9-17/h7-9,14-16H,3-6,10-13,22H2,1-2H3
InChIKeyANOJRBUKVXZVOM-UHFFFAOYSA-N
XLogP5.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3-chlorophenyl)methyl]-2,2-diphenylethanamine
CID 23848664
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine (CID 142934317) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ANOJRBUKVXZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Cl2N2/c1-14(2)11-23(12-16-5-3-15(10-22)4-6-16)13-17-7-8-18(20)19(21)9-17/h7-9,14-16H,3-6,10-13,22H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 357.37 g/mol, XLogP of 5.22, 7 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-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142934317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).