2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol

C16H18BrNO2 — CID 61049856

IUPAC2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(C)(CO)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO2/c1-16(11-19,12-4-3-5-15(10-12)20-2)18-14-8-6-13(17)7-9-14/h3-10,18-19H,11H2,1-2H3
InChIKeyCZACMEFDXCVREP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol

2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol (PubChem CID 61049856) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
PubChem CID61049856
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(C)(CO)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO2/c1-16(11-19,12-4-3-5-15(10-12)20-2)18-14-8-6-13(17)7-9-14/h3-10,18-19H,11H2,1-2H3
InChIKeyCZACMEFDXCVREP-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-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
CID 61045679
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
CID 105057714
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
N-[2-(3-methoxyphenyl)propan-2-yl]aniline
CID 69399416
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 65144721

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol (CID 61049856) is 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol is COc1cccc(C(C)(CO)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol?
The InChIKey is CZACMEFDXCVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-16(11-19,12-4-3-5-15(10-12)20-2)18-14-8-6-13(17)7-9-14/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol?
2-(4-bromoanilino)-2-(3-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-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61049856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).