4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine

C15H24FN3 — CID 103590249

IUPAC4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(NCC2CCN(C(C)C)C2)c(N)cc1F
InChIInChI=1S/C15H24FN3/c1-10(2)19-5-4-12(9-19)8-18-15-6-11(3)13(16)7-14(15)17/h6-7,10,12,18H,4-5,8-9,17H2,1-3H3
InChIKeyCRRMISYMACOZMR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.86
Rot. Bonds4

About 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine

4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine (PubChem CID 103590249) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
PubChem CID103590249
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(NCC2CCN(C(C)C)C2)c(N)cc1F
InChIInChI=1S/C15H24FN3/c1-10(2)19-5-4-12(9-19)8-18-15-6-11(3)13(16)7-14(15)17/h6-7,10,12,18H,4-5,8-9,17H2,1-3H3
InChIKeyCRRMISYMACOZMR-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.86
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-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
2-chloro-5-methyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 115554823
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590423
4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
CID 63357141
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
CID 104534038
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312591
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 63676271
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine (CID 103590249) is 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine is Cc1cc(NCC2CCN(C(C)C)C2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is CRRMISYMACOZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-10(2)19-5-4-12(9-19)8-18-15-6-11(3)13(16)7-14(15)17/h6-7,10,12,18H,4-5,8-9,17H2,1-3H3.
What are the key properties of 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 103590249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).