(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol

C10H14FNO — CID 131081645

IUPAC(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1cccc([C@H](N)C(C)O)c1F
InChIInChI=1S/C10H14FNO/c1-6-4-3-5-8(9(6)11)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyZFJFDRKRBVDAPJ-OMNKOJBGSA-N
MW183.23 g/mol
LogP1.51
Rot. Bonds2

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

(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol (PubChem CID 131081645) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
PubChem CID131081645
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1cccc([C@H](N)C(C)O)c1F
InChIInChI=1S/C10H14FNO/c1-6-4-3-5-8(9(6)11)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyZFJFDRKRBVDAPJ-OMNKOJBGSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol (CID 131081645) is (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol is Cc1cccc([C@H](N)C(C)O)c1F.
What is the InChIKey of (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol?
The InChIKey is ZFJFDRKRBVDAPJ-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-4-3-5-8(9(6)11)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of (1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol?
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.51, 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-(2-fluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 131081645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).