1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol

C16H18BrNO3 — CID 60719999

IUPAC1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO3/c1-20-15-5-7-16(8-6-15)21-11-14(19)10-18-13-4-2-3-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3
InChIKeyRWOFWNQLVDRNPL-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.31
Rot. Bonds7

About 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol

1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 60719999) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID60719999
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO3/c1-20-15-5-7-16(8-6-15)21-11-14(19)10-18-13-4-2-3-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3
InChIKeyRWOFWNQLVDRNPL-UHFFFAOYSA-N
XLogP3.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(3-bromoanilino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 60898344
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol (CID 60719999) is 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNc2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is RWOFWNQLVDRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-20-15-5-7-16(8-6-15)21-11-14(19)10-18-13-4-2-3-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3.
What are the key properties of 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol?
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 352.23 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).