4-[1-(3-bromo-5-methoxyanilino)propyl]phenol

C16H18BrNO2 — CID 82857921

IUPAC4-[1-(3-bromo-5-methoxyanilino)propyl]phenol
SMILESCCC(Nc1cc(Br)cc(OC)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-16(11-4-6-14(19)7-5-11)18-13-8-12(17)9-15(10-13)20-2/h4-10,16,18-19H,3H2,1-2H3
InChIKeyQRLMBWGFIKPMCO-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.73
Rot. Bonds5

About 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol

4-[1-(3-bromo-5-methoxyanilino)propyl]phenol (PubChem CID 82857921) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(3-bromo-5-methoxyanilino)propyl]phenol
PubChem CID82857921
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-[1-(3-bromo-5-methoxyanilino)propyl]phenol
SMILESCCC(Nc1cc(Br)cc(OC)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-16(11-4-6-14(19)7-5-11)18-13-8-12(17)9-15(10-13)20-2/h4-10,16,18-19H,3H2,1-2H3
InChIKeyQRLMBWGFIKPMCO-UHFFFAOYSA-N
XLogP4.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
CID 82858067
3-bromo-N-[1-(2-fluorophenyl)propyl]-5-methoxyaniline
CID 115994440
3-bromo-5-methoxy-N-(3-methyl-1-phenylbutyl)aniline
CID 82860561
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
CID 82857287
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol?
The IUPAC name of 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol (CID 82857921) is 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol?
The canonical SMILES for 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol is CCC(Nc1cc(Br)cc(OC)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol?
The InChIKey is QRLMBWGFIKPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-16(11-4-6-14(19)7-5-11)18-13-8-12(17)9-15(10-13)20-2/h4-10,16,18-19H,3H2,1-2H3.
What are the key properties of 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol?
4-[1-(3-bromo-5-methoxyanilino)propyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-5-methoxyanilino)propyl]phenol is sourced from PubChem (CID 82857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).