2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine

C16H24ClN — CID 114192546

IUPAC2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
SMILESNCC(CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c17-16-8-4-7-14(11-16)15(12-18)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,15H,1-3,5-6,9-10,12,18H2
InChIKeyTWLVNUKMQUBFNB-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.74
Rot. Bonds5

About 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine

2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine (PubChem CID 114192546) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
PubChem CID114192546
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
SMILESNCC(CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c17-16-8-4-7-14(11-16)15(12-18)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,15H,1-3,5-6,9-10,12,18H2
InChIKeyTWLVNUKMQUBFNB-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
4-cyclopentyl-2-(4-fluorophenyl)butan-1-amine
CID 114192542
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine (CID 114192546) is 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine is NCC(CCC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine?
The InChIKey is TWLVNUKMQUBFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c17-16-8-4-7-14(11-16)15(12-18)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,15H,1-3,5-6,9-10,12,18H2.
What are the key properties of 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine?
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine is sourced from PubChem (CID 114192546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).