(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol

C10H14FNO — CID 131021466

IUPAC(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-2-9(13)10(12)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1
InChIKeyDKHZKLPFFKEBMA-VHSXEESVSA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds3

About (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol

(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol (PubChem CID 131021466) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
PubChem CID131021466
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-2-9(13)10(12)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1
InChIKeyDKHZKLPFFKEBMA-VHSXEESVSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
2-[amino-(3-fluorophenyl)methyl]butanenitrile
CID 116946249
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol (CID 131021466) is (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol is CC[C@H](O)[C@H](N)c1cccc(F)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol?
The InChIKey is DKHZKLPFFKEBMA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-9(13)10(12)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol?
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 131021466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).