1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol

C16H17BrClNO2 — CID 81270209

IUPAC1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1Br)COCc1ccccc1
InChIInChI=1S/C16H17BrClNO2/c17-15-8-13(18)6-7-16(15)19-9-14(20)11-21-10-12-4-2-1-3-5-12/h1-8,14,19-20H,9-11H2
InChIKeyJCILDDJYOKXEFD-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.09
Rot. Bonds7

About 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol

1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol (PubChem CID 81270209) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
PubChem CID81270209
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1Br)COCc1ccccc1
InChIInChI=1S/C16H17BrClNO2/c17-15-8-13(18)6-7-16(15)19-9-14(20)11-21-10-12-4-2-1-3-5-12/h1-8,14,19-20H,9-11H2
InChIKeyJCILDDJYOKXEFD-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol (CID 81270209) is 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol is OC(CNc1ccc(Cl)cc1Br)COCc1ccccc1.
What is the InChIKey of 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol?
The InChIKey is JCILDDJYOKXEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c17-15-8-13(18)6-7-16(15)19-9-14(20)11-21-10-12-4-2-1-3-5-12/h1-8,14,19-20H,9-11H2.
What are the key properties of 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol?
1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 81270209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).