(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol

C12H18FNO — CID 171267952

IUPAC(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H18FNO/c1-7(2)12(15)11(14)10-6-9(13)5-4-8(10)3/h4-7,11-12,15H,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyMNOLYLZJQUYJAQ-NWDGAFQWSA-N
MW211.28 g/mol
LogP2.15
Rot. Bonds3

About (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol

(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol (PubChem CID 171267952) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
PubChem CID171267952
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H18FNO/c1-7(2)12(15)11(14)10-6-9(13)5-4-8(10)3/h4-7,11-12,15H,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyMNOLYLZJQUYJAQ-NWDGAFQWSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-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

1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945
(1S,2R)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171262268
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724075
(1R,2S)-1-amino-1-(4-fluoro-2-nitrophenyl)-3-methylbutan-2-ol
CID 171262745

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol (CID 171267952) is (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol is Cc1ccc(F)cc1[C@H](N)[C@H](O)C(C)C.
What is the InChIKey of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol?
The InChIKey is MNOLYLZJQUYJAQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18FNO/c1-7(2)12(15)11(14)10-6-9(13)5-4-8(10)3/h4-7,11-12,15H,14H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol?
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 171267952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).