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

C14H20ClN — CID 83824559

IUPAC2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
SMILESCc1cc(Cl)ccc1C(CN)C1CCCC1
InChIInChI=1S/C14H20ClN/c1-10-8-12(15)6-7-13(10)14(9-16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyCTSXCLRZVBOQFZ-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.88
Rot. Bonds3

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

2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine (PubChem CID 83824559) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
PubChem CID83824559
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
SMILESCc1cc(Cl)ccc1C(CN)C1CCCC1
InChIInChI=1S/C14H20ClN/c1-10-8-12(15)6-7-13(10)14(9-16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyCTSXCLRZVBOQFZ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171270243
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 82500943
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine (CID 83824559) is 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine is Cc1cc(Cl)ccc1C(CN)C1CCCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine?
The InChIKey is CTSXCLRZVBOQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-8-12(15)6-7-13(10)14(9-16)11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine?
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine is sourced from PubChem (CID 83824559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).