3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol

C11H16FNO — CID 117244762

IUPAC3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
SMILESCN(C)CC(CO)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-6,10,14H,7-8H2,1-2H3
InChIKeyKAFHKHDWBDPNNV-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.46
Rot. Bonds4

About 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol

3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 117244762) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
PubChem CID117244762
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
SMILESCN(C)CC(CO)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-6,10,14H,7-8H2,1-2H3
InChIKeyKAFHKHDWBDPNNV-UHFFFAOYSA-N
XLogP1.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202
3-(dimethylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246509
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol (CID 117244762) is 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol is CN(C)CC(CO)c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is KAFHKHDWBDPNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-6,10,14H,7-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol?
3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117244762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).