[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol

C16H24ClNO — CID 106817065

IUPAC[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1ccc(CNCC2(CO)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-13-5-6-14(9-15(13)17)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3
InChIKeyNCXFUZPBHRHFOW-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds5

About [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 106817065) 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]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
PubChem CID106817065
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1ccc(CNCC2(CO)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-13-5-6-14(9-15(13)17)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3
InChIKeyNCXFUZPBHRHFOW-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
1-(3-chloro-4-methylphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 106816959
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol (CID 106817065) is [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol is Cc1ccc(CNCC2(CO)CCCCC2)cc1Cl.
What is the InChIKey of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is NCXFUZPBHRHFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13-5-6-14(9-15(13)17)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3.
What are the key properties of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 281.83 g/mol, XLogP of 3.68, 5 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]cyclohexyl]methanol is sourced from PubChem (CID 106817065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).