2-(3-aminobutyl)-4-fluoroaniline

C10H15FN2 — CID 105440162

IUPAC2-(3-aminobutyl)-4-fluoroaniline
SMILESCC(N)CCc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7H,2-3,12-13H2,1H3
InChIKeyBVBDIKKLASINMG-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.69
Rot. Bonds3

About 2-(3-aminobutyl)-4-fluoroaniline

2-(3-aminobutyl)-4-fluoroaniline (PubChem CID 105440162) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(3-aminobutyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3-aminobutyl)-4-fluoroaniline
PubChem CID105440162
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(3-aminobutyl)-4-fluoroaniline
SMILESCC(N)CCc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7H,2-3,12-13H2,1H3
InChIKeyBVBDIKKLASINMG-UHFFFAOYSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.69
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

2-(3-aminobutyl)-4-(trifluoromethyl)aniline
CID 105490665
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
4-fluoro-2-propylaniline
CID 23348947
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
4-fluoro-2-heptylaniline
CID 67191637
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
2-(2-ethylsulfanylethyl)-4-fluoroaniline
CID 70246238
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-4-fluoroaniline?
The IUPAC name of 2-(3-aminobutyl)-4-fluoroaniline (CID 105440162) is 2-(3-aminobutyl)-4-fluoroaniline.
What is the SMILES notation for 2-(3-aminobutyl)-4-fluoroaniline?
The canonical SMILES for 2-(3-aminobutyl)-4-fluoroaniline is CC(N)CCc1cc(F)ccc1N.
What is the InChIKey of 2-(3-aminobutyl)-4-fluoroaniline?
The InChIKey is BVBDIKKLASINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7H,2-3,12-13H2,1H3.
What are the key properties of 2-(3-aminobutyl)-4-fluoroaniline?
2-(3-aminobutyl)-4-fluoroaniline has a molecular weight of 182.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-4-fluoroaniline is sourced from PubChem (CID 105440162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).