3-(1-aminopentyl)-4-fluoroaniline

C11H17FN2 — CID 55269027

IUPAC3-(1-aminopentyl)-4-fluoroaniline
SMILESCCCCC(N)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7,11H,2-4,13-14H2,1H3
InChIKeyFLRGAGKVKPALFT-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-aminopentyl)-4-fluoroaniline

3-(1-aminopentyl)-4-fluoroaniline (PubChem CID 55269027) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(1-aminopentyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1-aminopentyl)-4-fluoroaniline
PubChem CID55269027
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-(1-aminopentyl)-4-fluoroaniline
SMILESCCCCC(N)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7,11H,2-4,13-14H2,1H3
InChIKeyFLRGAGKVKPALFT-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.60
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

(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171209909
3-(1-aminopentyl)-4-fluorobenzoic acid
CID 138110302
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
4-fluoro-3-propan-2-ylaniline
CID 45090554
1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopentyl)-4-fluoroaniline?
The IUPAC name of 3-(1-aminopentyl)-4-fluoroaniline (CID 55269027) is 3-(1-aminopentyl)-4-fluoroaniline.
What is the SMILES notation for 3-(1-aminopentyl)-4-fluoroaniline?
The canonical SMILES for 3-(1-aminopentyl)-4-fluoroaniline is CCCCC(N)c1cc(N)ccc1F.
What is the InChIKey of 3-(1-aminopentyl)-4-fluoroaniline?
The InChIKey is FLRGAGKVKPALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7,11H,2-4,13-14H2,1H3.
What are the key properties of 3-(1-aminopentyl)-4-fluoroaniline?
3-(1-aminopentyl)-4-fluoroaniline has a molecular weight of 196.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopentyl)-4-fluoroaniline is sourced from PubChem (CID 55269027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).