2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine

C14H20ClN — CID 106866447

IUPAC2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
SMILESCc1ccc(CC(N)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyXPDQCFFJLSDMEW-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.71
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine

2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine (PubChem CID 106866447) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
PubChem CID106866447
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
SMILESCc1ccc(CC(N)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyXPDQCFFJLSDMEW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 106868280
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 106867449

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine (CID 106866447) is 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine is Cc1ccc(CC(N)C2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine?
The InChIKey is XPDQCFFJLSDMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine?
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.71, 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)-1-cyclopentylethanamine is sourced from PubChem (CID 106866447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).