2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol

C16H17BrFNO — CID 79049467

IUPAC2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
SMILESCc1cc(F)cc(NC(C)(CO)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-7-12(18)9-13(8-11)19-16(2,10-20)14-5-3-4-6-15(14)17/h3-9,19-20H,10H2,1-2H3
InChIKeyZIEFDCOSKBFUPH-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol

2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol (PubChem CID 79049467) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
PubChem CID79049467
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
SMILESCc1cc(F)cc(NC(C)(CO)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-7-12(18)9-13(8-11)19-16(2,10-20)14-5-3-4-6-15(14)17/h3-9,19-20H,10H2,1-2H3
InChIKeyZIEFDCOSKBFUPH-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
CID 79047415
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
1-(2-bromophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79690330
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050493
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 63427998
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol (CID 79049467) is 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol is Cc1cc(F)cc(NC(C)(CO)c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol?
The InChIKey is ZIEFDCOSKBFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11-7-12(18)9-13(8-11)19-16(2,10-20)14-5-3-4-6-15(14)17/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol?
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol is sourced from PubChem (CID 79049467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).