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

C16H18BrNO2 — CID 60898164

IUPAC1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO2/c1-12-4-2-7-16(8-12)20-11-15(19)10-18-14-6-3-5-13(17)9-14/h2-9,15,18-19H,10-11H2,1H3
InChIKeySEUDOTCLSWLFPT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.61
Rot. Bonds6

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

1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 60898164) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID60898164
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO2/c1-12-4-2-7-16(8-12)20-11-15(19)10-18-14-6-3-5-13(17)9-14/h2-9,15,18-19H,10-11H2,1H3
InChIKeySEUDOTCLSWLFPT-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-(3-bromoanilino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 60898344
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(3-methyl-4-nitroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 133273463
1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
CID 61467288
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol (CID 60898164) is 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is SEUDOTCLSWLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-12-4-2-7-16(8-12)20-11-15(19)10-18-14-6-3-5-13(17)9-14/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol?
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 336.23 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60898164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).