1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride

C12H18ClN — CID 45380293

IUPAC1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
SMILESCc1ccc(C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H
InChIKeyHTWSLYJSVHGCGP-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.14
Rot. Bonds1

About 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride

1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride (PubChem CID 45380293) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
PubChem CID45380293
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
SMILESCc1ccc(C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H
InChIKeyHTWSLYJSVHGCGP-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
4-(4-methylphenyl)piperidin-4-amine
CID 70264998
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
1-(4-iodophenyl)cyclopentan-1-amine
CID 117047029
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
3-amino-3-(4-methylphenyl)cyclobutan-1-one
CID 115014531
1-[4-(1-fluoroethyl)phenyl]cyclopentan-1-amine
CID 117296684

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride (CID 45380293) is 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride is Cc1ccc(C2(N)CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride?
The InChIKey is HTWSLYJSVHGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride?
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 45380293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).