2-(1-aminopropyl)-6-fluoroaniline

C9H13FN2 — CID 55282936

IUPAC2-(1-aminopropyl)-6-fluoroaniline
SMILESCCC(N)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h3-5,8H,2,11-12H2,1H3
InChIKeyJGAUOAJWDZOIMA-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.82
Rot. Bonds2

About 2-(1-aminopropyl)-6-fluoroaniline

2-(1-aminopropyl)-6-fluoroaniline (PubChem CID 55282936) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(1-aminopropyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-6-fluoroaniline
PubChem CID55282936
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-(1-aminopropyl)-6-fluoroaniline
SMILESCCC(N)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h3-5,8H,2,11-12H2,1H3
InChIKeyJGAUOAJWDZOIMA-UHFFFAOYSA-N
XLogP1.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
2-(2-amino-3-fluorophenyl)butanenitrile
CID 130134706
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
2-[bis(methylsulfanyl)methyl]-6-fluoroaniline
CID 13465654
2-[(1S)-1-aminopropyl]-6-nitroaniline
CID 55268839
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-6-fluoroaniline?
The IUPAC name of 2-(1-aminopropyl)-6-fluoroaniline (CID 55282936) is 2-(1-aminopropyl)-6-fluoroaniline.
What is the SMILES notation for 2-(1-aminopropyl)-6-fluoroaniline?
The canonical SMILES for 2-(1-aminopropyl)-6-fluoroaniline is CCC(N)c1cccc(F)c1N.
What is the InChIKey of 2-(1-aminopropyl)-6-fluoroaniline?
The InChIKey is JGAUOAJWDZOIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h3-5,8H,2,11-12H2,1H3.
What are the key properties of 2-(1-aminopropyl)-6-fluoroaniline?
2-(1-aminopropyl)-6-fluoroaniline has a molecular weight of 168.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-6-fluoroaniline is sourced from PubChem (CID 55282936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).