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

C10H14FNO — CID 130864158

IUPAC(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1[C@@H](O)[C@H](C)N
InChIInChI=1S/C10H14FNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m0/s1
InChIKeyOOJIBLUWANNKBT-XVKPBYJWSA-N
MW183.23 g/mol
LogP1.51
Rot. Bonds2

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

(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 130864158) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
PubChem CID130864158
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1[C@@H](O)[C@H](C)N
InChIInChI=1S/C10H14FNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m0/s1
InChIKeyOOJIBLUWANNKBT-XVKPBYJWSA-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

2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
3-(5-fluoro-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171869759
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
CID 170791965
CID 170791965
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
ethyl 4-(5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171896910

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol (CID 130864158) is (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol is Cc1ccc(F)cc1[C@@H](O)[C@H](C)N.
What is the InChIKey of (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is OOJIBLUWANNKBT-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol?
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-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 (1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 130864158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).