1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine

C12H17ClN2O — CID 115117153

IUPAC1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine
SMILESCOc1ccc(NC2CCCC2N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-16-8-5-6-11(9(13)7-8)15-12-4-2-3-10(12)14/h5-7,10,12,15H,2-4,14H2,1H3
InChIKeyIGDUPMCHELDIEY-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.64
Rot. Bonds3

About 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine

1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine (PubChem CID 115117153) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine
PubChem CID115117153
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine
SMILESCOc1ccc(NC2CCCC2N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-16-8-5-6-11(9(13)7-8)15-12-4-2-3-10(12)14/h5-7,10,12,15H,2-4,14H2,1H3
InChIKeyIGDUPMCHELDIEY-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907
N-(2-chloro-4-methoxyphenyl)thian-4-amine
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2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
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[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
CID 102738784
1-N-(5-methoxy-2-methyl-4-pyridinyl)cyclopentane-1,2-diamine
CID 106660824
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
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2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine (CID 115117153) is 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine is COc1ccc(NC2CCCC2N)c(Cl)c1.
What is the InChIKey of 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The InChIKey is IGDUPMCHELDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-8-5-6-11(9(13)7-8)15-12-4-2-3-10(12)14/h5-7,10,12,15H,2-4,14H2,1H3.
What are the key properties of 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine?
1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine has a molecular weight of 240.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).