2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol

C17H20BrNO — CID 61048068

IUPAC2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
SMILESCC(C)C(CO)(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(2)17(12-20,14-7-4-3-5-8-14)19-16-10-6-9-15(18)11-16/h3-11,13,19-20H,12H2,1-2H3
InChIKeyFNKWBCCIHGXIGK-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.40
Rot. Bonds5

About 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol

2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol (PubChem CID 61048068) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
PubChem CID61048068
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
SMILESCC(C)C(CO)(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(2)17(12-20,14-7-4-3-5-8-14)19-16-10-6-9-15(18)11-16/h3-11,13,19-20H,12H2,1-2H3
InChIKeyFNKWBCCIHGXIGK-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
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CID 61048867
2-(3-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868121
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
3-bromo-N-propan-2-ylaniline
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1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol (CID 61048068) is 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol is CC(C)C(CO)(Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol?
The InChIKey is FNKWBCCIHGXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(2)17(12-20,14-7-4-3-5-8-14)19-16-10-6-9-15(18)11-16/h3-11,13,19-20H,12H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol?
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol is sourced from PubChem (CID 61048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).