4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine

C13H19FN2O — CID 114543148

IUPAC4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
SMILESCOc1cc(NC2CCC(C)C2)c(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-8-3-4-9(5-8)16-12-7-13(17-2)10(14)6-11(12)15/h6-9,16H,3-5,15H2,1-2H3
InChIKeyHWPVJCLNQSYFRY-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.02
Rot. Bonds3

About 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 114543148) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
PubChem CID114543148
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
SMILESCOc1cc(NC2CCC(C)C2)c(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-8-3-4-9(5-8)16-12-7-13(17-2)10(14)6-11(12)15/h6-9,16H,3-5,15H2,1-2H3
InChIKeyHWPVJCLNQSYFRY-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 63593630
4-fluoro-5-methoxy-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 65470637
1-N-(3,4-dimethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64740895
4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 63598199
3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543233
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
1-N-(2,2-dimethylcyclohexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 79861652
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64748812
1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine (CID 114543148) is 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine is COc1cc(NC2CCC(C)C2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is HWPVJCLNQSYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8-3-4-9(5-8)16-12-7-13(17-2)10(14)6-11(12)15/h6-9,16H,3-5,15H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 114543148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).