4-fluoro-3-[3-(methylamino)propyl]aniline

C10H15FN2 — CID 84658598

IUPAC4-fluoro-3-[3-(methylamino)propyl]aniline
SMILESCNCCCc1cc(N)ccc1F
InChIInChI=1S/C10H15FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeySYCRMMDXZRFHQM-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.56
Rot. Bonds4

About 4-fluoro-3-[3-(methylamino)propyl]aniline

4-fluoro-3-[3-(methylamino)propyl]aniline (PubChem CID 84658598) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-fluoro-3-[3-(methylamino)propyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[3-(methylamino)propyl]aniline
PubChem CID84658598
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-fluoro-3-[3-(methylamino)propyl]aniline
SMILESCNCCCc1cc(N)ccc1F
InChIInChI=1S/C10H15FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeySYCRMMDXZRFHQM-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-octylaniline
CID 70083692
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
3-(2-aminoethyl)-4-methylaniline
CID 83384141
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
CID 68733448

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[3-(methylamino)propyl]aniline?
The IUPAC name of 4-fluoro-3-[3-(methylamino)propyl]aniline (CID 84658598) is 4-fluoro-3-[3-(methylamino)propyl]aniline.
What is the SMILES notation for 4-fluoro-3-[3-(methylamino)propyl]aniline?
The canonical SMILES for 4-fluoro-3-[3-(methylamino)propyl]aniline is CNCCCc1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-[3-(methylamino)propyl]aniline?
The InChIKey is SYCRMMDXZRFHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h4-5,7,13H,2-3,6,12H2,1H3.
What are the key properties of 4-fluoro-3-[3-(methylamino)propyl]aniline?
4-fluoro-3-[3-(methylamino)propyl]aniline has a molecular weight of 182.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[3-(methylamino)propyl]aniline is sourced from PubChem (CID 84658598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).