4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine

C17H26ClN — CID 65020395

IUPAC4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN/c1-2-3-5-14-8-10-17(19,11-9-14)13-15-6-4-7-16(18)12-15/h4,6-7,12,14H,2-3,5,8-11,13,19H2,1H3
InChIKeyQYIGUADSULUXDI-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.96
Rot. Bonds5

About 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine

4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 65020395) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
PubChem CID65020395
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN/c1-2-3-5-14-8-10-17(19,11-9-14)13-15-6-4-7-16(18)12-15/h4,6-7,12,14H,2-3,5,8-11,13,19H2,1H3
InChIKeyQYIGUADSULUXDI-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-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-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
CID 65020287
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine (CID 65020395) is 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine is CCCCC1CCC(N)(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is QYIGUADSULUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-3-5-14-8-10-17(19,11-9-14)13-15-6-4-7-16(18)12-15/h4,6-7,12,14H,2-3,5,8-11,13,19H2,1H3.
What are the key properties of 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine?
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65020395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).