1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine

C14H20FN3 — CID 103590220

IUPAC1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NC2CCN(C3CC3)C2)c(N)cc1F
InChIInChI=1S/C14H20FN3/c1-9-6-14(13(16)7-12(9)15)17-10-4-5-18(8-10)11-2-3-11/h6-7,10-11,17H,2-5,8,16H2,1H3
InChIKeyLAONSRJPXCFVQY-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.36
Rot. Bonds3

About 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine

1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 103590220) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID103590220
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NC2CCN(C3CC3)C2)c(N)cc1F
InChIInChI=1S/C14H20FN3/c1-9-6-14(13(16)7-12(9)15)17-10-4-5-18(8-10)11-2-3-11/h6-7,10-11,17H,2-5,8,16H2,1H3
InChIKeyLAONSRJPXCFVQY-UHFFFAOYSA-N
XLogP2.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.36
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

2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001604
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
4-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770
1-cyclopropyl-N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 55139840
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
4-amino-3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 82785091
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 59419710
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine (CID 103590220) is 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(NC2CCN(C3CC3)C2)c(N)cc1F.
What is the InChIKey of 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is LAONSRJPXCFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-9-6-14(13(16)7-12(9)15)17-10-4-5-18(8-10)11-2-3-11/h6-7,10-11,17H,2-5,8,16H2,1H3.
What are the key properties of 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 249.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).