1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine

C12H17FN2O — CID 115117101

IUPAC1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
SMILESCOc1ccc(NC2CCCC2N)cc1F
InChIInChI=1S/C12H17FN2O/c1-16-12-6-5-8(7-9(12)13)15-11-4-2-3-10(11)14/h5-7,10-11,15H,2-4,14H2,1H3
InChIKeyYPZXQJFYLXMAAK-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.13
Rot. Bonds3

About 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine

1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine (PubChem CID 115117101) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
PubChem CID115117101
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
SMILESCOc1ccc(NC2CCCC2N)cc1F
InChIInChI=1S/C12H17FN2O/c1-16-12-6-5-8(7-9(12)13)15-11-4-2-3-10(11)14/h5-7,10-11,15H,2-4,14H2,1H3
InChIKeyYPZXQJFYLXMAAK-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.13
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

1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853624
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine (CID 115117101) is 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine is COc1ccc(NC2CCCC2N)cc1F.
What is the InChIKey of 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine?
The InChIKey is YPZXQJFYLXMAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-12-6-5-8(7-9(12)13)15-11-4-2-3-10(11)14/h5-7,10-11,15H,2-4,14H2,1H3.
What are the key properties of 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine?
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine has a molecular weight of 224.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).