(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol

C11H16FNO — CID 161443517

IUPAC(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-5-8(6-9(7)12)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyVZPDNUJRKICBFD-JTQLQIEISA-N
MW197.25 g/mol
LogP1.90
Rot. Bonds2

About (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol

(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol (PubChem CID 161443517) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
PubChem CID161443517
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-5-8(6-9(7)12)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyVZPDNUJRKICBFD-JTQLQIEISA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol 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)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171312332
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 107128883
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 107128890
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol (CID 161443517) is (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol is Cc1ccc([C@H](N)C(C)(C)O)cc1F.
What is the InChIKey of (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is VZPDNUJRKICBFD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-5-8(6-9(7)12)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol?
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 161443517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).