4-amino-2-(4-fluorophenyl)butan-1-ol

C10H14FNO — CID 115016455

IUPAC4-amino-2-(4-fluorophenyl)butan-1-ol
SMILESNCCC(CO)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9,13H,5-7,12H2
InChIKeyUXDHNUHTKGMRAI-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-2-(4-fluorophenyl)butan-1-ol

4-amino-2-(4-fluorophenyl)butan-1-ol (PubChem CID 115016455) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)butan-1-ol
PubChem CID115016455
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-amino-2-(4-fluorophenyl)butan-1-ol
SMILESNCCC(CO)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9,13H,5-7,12H2
InChIKeyUXDHNUHTKGMRAI-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
CID 82534562
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244762
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
4-amino-2-(3-bromophenyl)butan-1-ol
CID 115045172

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-amino-2-(4-fluorophenyl)butan-1-ol (CID 115016455) is 4-amino-2-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)butan-1-ol is NCCC(CO)c1ccc(F)cc1.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)butan-1-ol?
The InChIKey is UXDHNUHTKGMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9,13H,5-7,12H2.
What are the key properties of 4-amino-2-(4-fluorophenyl)butan-1-ol?
4-amino-2-(4-fluorophenyl)butan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 115016455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).