3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol

C10H14FNO — CID 84769044

IUPAC3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(F)cc(C(O)CCN)c1
InChIInChI=1S/C10H14FNO/c1-7-4-8(6-9(11)5-7)10(13)2-3-12/h4-6,10,13H,2-3,12H2,1H3
InChIKeyGPIZIDWAWUTLAS-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol

3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 84769044) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
PubChem CID84769044
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(F)cc(C(O)CCN)c1
InChIInChI=1S/C10H14FNO/c1-7-4-8(6-9(11)5-7)10(13)2-3-12/h4-6,10,13H,2-3,12H2,1H3
InChIKeyGPIZIDWAWUTLAS-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol (CID 84769044) is 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol is Cc1cc(F)cc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is GPIZIDWAWUTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-4-8(6-9(11)5-7)10(13)2-3-12/h4-6,10,13H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol?
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 84769044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).