1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol

C16H18BrNO2 — CID 60910317

IUPAC1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
SMILESCc1ccc(Br)cc1NCC(O)COc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-12-7-8-13(17)9-16(12)18-10-14(19)11-20-15-5-3-2-4-6-15/h2-9,14,18-19H,10-11H2,1H3
InChIKeyYQFOWMOFDIEAQY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.61
Rot. Bonds6

About 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol

1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol (PubChem CID 60910317) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
PubChem CID60910317
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
SMILESCc1ccc(Br)cc1NCC(O)COc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-12-7-8-13(17)9-16(12)18-10-14(19)11-20-15-5-3-2-4-6-15/h2-9,14,18-19H,10-11H2,1H3
InChIKeyYQFOWMOFDIEAQY-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-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(4-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60721029
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol (CID 60910317) is 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol is Cc1ccc(Br)cc1NCC(O)COc1ccccc1.
What is the InChIKey of 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol?
The InChIKey is YQFOWMOFDIEAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-12-7-8-13(17)9-16(12)18-10-14(19)11-20-15-5-3-2-4-6-15/h2-9,14,18-19H,10-11H2,1H3.
What are the key properties of 1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol?
1-(5-bromo-2-methylanilino)-3-phenoxypropan-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-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 60910317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).