2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol

C16H18BrNO — CID 61048061

IUPAC2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-12-6-3-4-9-15(12)16(2,11-19)18-14-8-5-7-13(17)10-14/h3-10,18-19H,11H2,1-2H3
InChIKeyPGNLKHBGVDETIC-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.08
Rot. Bonds4

About 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol

2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol (PubChem CID 61048061) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
PubChem CID61048061
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-12-6-3-4-9-15(12)16(2,11-19)18-14-8-5-7-13(17)10-14/h3-10,18-19H,11H2,1-2H3
InChIKeyPGNLKHBGVDETIC-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
CID 79049467
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol (CID 61048061) is 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(C)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is PGNLKHBGVDETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-6-3-4-9-15(12)16(2,11-19)18-14-8-5-7-13(17)10-14/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol?
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 320.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 61048061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).