1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine

C14H18ClN — CID 117344068

IUPAC1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(C3CC3)c(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClN/c15-13-9-11(14(16)7-1-2-8-14)5-6-12(13)10-3-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyQNEMPHPUELKKNP-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine

1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine (PubChem CID 117344068) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
PubChem CID117344068
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(C3CC3)c(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClN/c15-13-9-11(14(16)7-1-2-8-14)5-6-12(13)10-3-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyQNEMPHPUELKKNP-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
CID 117445362
1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
CID 117309769
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-[3-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397302
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
CID 105497358
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine (CID 117344068) is 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine is NC1(c2ccc(C3CC3)c(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine?
The InChIKey is QNEMPHPUELKKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-9-11(14(16)7-1-2-8-14)5-6-12(13)10-3-4-10/h5-6,9-10H,1-4,7-8,16H2.
What are the key properties of 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine?
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine has a molecular weight of 235.76 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117344068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).