1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

C16H24ClNO — CID 106816884

IUPAC1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1ccc(CNCC2(O)CCCC(C)C2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-12-4-3-7-16(19,9-12)11-18-10-14-6-5-13(2)15(17)8-14/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyLPPDLZMXTHMPHS-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds4

About 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 106816884) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID106816884
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1ccc(CNCC2(O)CCCC(C)C2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-12-4-3-7-16(19,9-12)11-18-10-14-6-5-13(2)15(17)8-14/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyLPPDLZMXTHMPHS-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 ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
(3S)-3-[[(3-chloro-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 99844326
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
CID 63934128
N'-hydroxy-3-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056880
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (CID 106816884) is 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is Cc1ccc(CNCC2(O)CCCC(C)C2)cc1Cl.
What is the InChIKey of 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is LPPDLZMXTHMPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-4-3-7-16(19,9-12)11-18-10-14-6-5-13(2)15(17)8-14/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 281.83 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 1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 106816884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).