2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol

C17H24ClNO — CID 64927634

IUPAC2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H24ClNO/c18-15-9-7-13(8-10-15)17(12-5-6-12)19-11-14-3-1-2-4-16(14)20/h7-10,12,14,16-17,19-20H,1-6,11H2
InChIKeyHFGVTCOXQQDCIS-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.93
Rot. Bonds5

About 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol

2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 64927634) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
PubChem CID64927634
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H24ClNO/c18-15-9-7-13(8-10-15)17(12-5-6-12)19-11-14-3-1-2-4-16(14)20/h7-10,12,14,16-17,19-20H,1-6,11H2
InChIKeyHFGVTCOXQQDCIS-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
CID 104860395
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol (CID 64927634) is 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HFGVTCOXQQDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-15-9-7-13(8-10-15)17(12-5-6-12)19-11-14-3-1-2-4-16(14)20/h7-10,12,14,16-17,19-20H,1-6,11H2.
What are the key properties of 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol?
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 293.84 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).