3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol

C16H22ClNO — CID 43792315

IUPAC3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC(c2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C16H22ClNO/c17-13-8-6-12(7-9-13)16(11-4-5-11)18-14-2-1-3-15(19)10-14/h6-9,11,14-16,18-19H,1-5,10H2
InChIKeyPNFNMCAVDSPPTQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.68
Rot. Bonds4

About 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol

3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol (PubChem CID 43792315) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
PubChem CID43792315
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC(c2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C16H22ClNO/c17-13-8-6-12(7-9-13)16(11-4-5-11)18-14-2-1-3-15(19)10-14/h6-9,11,14-16,18-19H,1-5,10H2
InChIKeyPNFNMCAVDSPPTQ-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
CID 43751031
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,1-dioxothian-4-amine
CID 43778641
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
CID 122031155
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol (CID 43792315) is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol is OC1CCCC(NC(c2ccc(Cl)cc2)C2CC2)C1.
What is the InChIKey of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol?
The InChIKey is PNFNMCAVDSPPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-13-8-6-12(7-9-13)16(11-4-5-11)18-14-2-1-3-15(19)10-14/h6-9,11,14-16,18-19H,1-5,10H2.
What are the key properties of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol?
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 43792315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).