[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine

C14H20ClN — CID 106870924

IUPAC[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1ccc(CC2CCCC2CN)c(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-5-6-12(14(15)7-10)8-11-3-2-4-13(11)9-16/h5-7,11,13H,2-4,8-9,16H2,1H3
InChIKeyBTRWIXYVXXUNCV-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.57
Rot. Bonds3

About [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine

[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine (PubChem CID 106870924) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
PubChem CID106870924
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1ccc(CC2CCCC2CN)c(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-5-6-12(14(15)7-10)8-11-3-2-4-13(11)9-16/h5-7,11,13H,2-4,8-9,16H2,1H3
InChIKeyBTRWIXYVXXUNCV-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
CID 81010671
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine (CID 106870924) is [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine is Cc1ccc(CC2CCCC2CN)c(Cl)c1.
What is the InChIKey of [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine?
The InChIKey is BTRWIXYVXXUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-5-6-12(14(15)7-10)8-11-3-2-4-13(11)9-16/h5-7,11,13H,2-4,8-9,16H2,1H3.
What are the key properties of [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine?
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 106870924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).