2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline

C11H17FN2 — CID 130715208

IUPAC2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
SMILESCC(C)(C)[C@H](N)c1c(N)cccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,13-14H2,1-3H3/t10-/m1/s1
InChIKeyLAQXPDTZMTZTNB-SNVBAGLBSA-N
MW196.27 g/mol
LogP2.45
Rot. Bonds1

About 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline

2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline (PubChem CID 130715208) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
PubChem CID130715208
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
SMILESCC(C)(C)[C@H](N)c1c(N)cccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,13-14H2,1-3H3/t10-/m1/s1
InChIKeyLAQXPDTZMTZTNB-SNVBAGLBSA-N
XLogP2.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-methylaniline
CID 130723578
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
1-amino-1-(2-amino-6-fluorophenyl)propan-2-one
CID 55293837
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 139965920
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
2-(2-amino-6-fluorophenyl)propanenitrile
CID 130135319
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64770314
(1R,3S)-3-amino-1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171236754
2-[(1R)-1-amino-2,2-dimethylpropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257323

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline?
The IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline (CID 130715208) is 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline.
What is the SMILES notation for 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline?
The canonical SMILES for 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline is CC(C)(C)[C@H](N)c1c(N)cccc1F.
What is the InChIKey of 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline?
The InChIKey is LAQXPDTZMTZTNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,13-14H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline?
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline has a molecular weight of 196.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline is sourced from PubChem (CID 130715208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).