N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine

C13H18ClNO — CID 82292670

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-12-7-6-10(13(14)8-12)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3
InChIKeyUVALLYWEXCMNBM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.38
Rot. Bonds4

About N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine

N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine (PubChem CID 82292670) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
PubChem CID82292670
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-12-7-6-10(13(14)8-12)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3
InChIKeyUVALLYWEXCMNBM-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine (CID 82292670) is N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine is COc1ccc(CNC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine?
The InChIKey is UVALLYWEXCMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-12-7-6-10(13(14)8-12)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine?
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine has a molecular weight of 239.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 82292670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).