3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol

C14H22FNO — CID 114834242

IUPAC3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(C)(CO)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)9-16-14(3,10-17)8-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyZTVTUWGGTSVJPO-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.36
Rot. Bonds6

About 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol

3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol (PubChem CID 114834242) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
PubChem CID114834242
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(C)(CO)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)9-16-14(3,10-17)8-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyZTVTUWGGTSVJPO-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
1-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluorobenzene
CID 79448312
1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene
CID 79453288
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol (CID 114834242) is 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol is CC(C)CNC(C)(CO)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is ZTVTUWGGTSVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)9-16-14(3,10-17)8-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol?
3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 114834242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).