2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol

C16H18BrNO2 — CID 61049055

IUPAC2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-16(11-19,14-5-3-4-6-15(14)20-2)18-13-9-7-12(17)8-10-13/h3-10,18-19H,11H2,1-2H3
InChIKeyOJUWJKNKZIWTKM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol

2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 61049055) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
PubChem CID61049055
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-16(11-19,14-5-3-4-6-15(14)20-2)18-13-9-7-12(17)8-10-13/h3-10,18-19H,11H2,1-2H3
InChIKeyOJUWJKNKZIWTKM-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
CID 61049856
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
CID 61045474
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol (CID 61049055) is 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(C)(CO)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is OJUWJKNKZIWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-16(11-19,14-5-3-4-6-15(14)20-2)18-13-9-7-12(17)8-10-13/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol?
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61049055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).