1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol

C16H17BrClNO2 — CID 81280088

IUPAC1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C16H17BrClNO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-8-12(18)5-6-15(16)17/h2-8,13,19-20H,9-10H2,1H3
InChIKeyIQMNABMQBGKIPT-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.26
Rot. Bonds6

About 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol

1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 81280088) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID81280088
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C16H17BrClNO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-8-12(18)5-6-15(16)17/h2-8,13,19-20H,9-10H2,1H3
InChIKeyIQMNABMQBGKIPT-UHFFFAOYSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol (CID 81280088) is 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is IQMNABMQBGKIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-8-12(18)5-6-15(16)17/h2-8,13,19-20H,9-10H2,1H3.
What are the key properties of 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol?
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 81280088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).