3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine

C15H22ClN — CID 82087861

IUPAC3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
SMILESNCCC(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H22ClN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2
InChIKeyDXTYJCVBROTITP-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.35
Rot. Bonds4

About 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine

3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine (PubChem CID 82087861) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
PubChem CID82087861
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
SMILESNCCC(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H22ClN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2
InChIKeyDXTYJCVBROTITP-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
CID 82083463
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
CID 68853104
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine (CID 82087861) is 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine is NCCC(c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine?
The InChIKey is DXTYJCVBROTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2.
What are the key properties of 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine?
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 82087861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).