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

C15H22ClNO — CID 106817015

IUPAC[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCc1ccc(CNCC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-12-4-5-13(8-14(12)16)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3
InChIKeyUGMHZXVIWYCDTJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.29
Rot. Bonds5

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

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 106817015) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID106817015
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCc1ccc(CNCC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-12-4-5-13(8-14(12)16)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3
InChIKeyUGMHZXVIWYCDTJ-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[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
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol (CID 106817015) is [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol is Cc1ccc(CNCC2(CO)CCCC2)cc1Cl.
What is the InChIKey of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is UGMHZXVIWYCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-4-5-13(8-14(12)16)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3.
What are the key properties of [1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.29, 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]cyclopentyl]methanol is sourced from PubChem (CID 106817015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).