2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol

C10H14FNO — CID 115649532

IUPAC2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(N)CO
InChIInChI=1S/C10H14FNO/c1-7-4-9(11)3-2-8(7)5-10(12)6-13/h2-4,10,13H,5-6,12H2,1H3
InChIKeyTZZNRHRTRVNECM-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.00
Rot. Bonds3

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

2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 115649532) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID115649532
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(N)CO
InChIInChI=1S/C10H14FNO/c1-7-4-9(11)3-2-8(7)5-10(12)6-13/h2-4,10,13H,5-6,12H2,1H3
InChIKeyTZZNRHRTRVNECM-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105188260

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol (CID 115649532) is 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol is Cc1cc(F)ccc1CC(N)CO.
What is the InChIKey of 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is TZZNRHRTRVNECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-4-9(11)3-2-8(7)5-10(12)6-13/h2-4,10,13H,5-6,12H2,1H3.
What are the key properties of 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 115649532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).