1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C14H21FN2O — CID 107259328

IUPAC1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCC(C)C2C)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-8-4-5-12(9(8)2)17-13-7-14(18-3)11(16)6-10(13)15/h6-9,12,17H,4-5,16H2,1-3H3
InChIKeyCXHHTRLQLMIGNE-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.26
Rot. Bonds3

About 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259328) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259328
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCC(C)C2C)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-8-4-5-12(9(8)2)17-13-7-14(18-3)11(16)6-10(13)15/h6-9,12,17H,4-5,16H2,1-3H3
InChIKeyCXHHTRLQLMIGNE-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.26
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

1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258944
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259506
1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
CID 64907121
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
CID 106183235
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259328) is 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(NC2CCC(C)C2C)c(F)cc1N.
What is the InChIKey of 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is CXHHTRLQLMIGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-8-4-5-12(9(8)2)17-13-7-14(18-3)11(16)6-10(13)15/h6-9,12,17H,4-5,16H2,1-3H3.
What are the key properties of 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 252.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).