3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol

C15H16BrNO2 — CID 82857287

IUPAC3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
SMILESCOc1cc(Br)cc(NC(C)c2cccc(O)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10(11-4-3-5-14(18)6-11)17-13-7-12(16)8-15(9-13)19-2/h3-10,17-18H,1-2H3
InChIKeyYJDNPZCWEGCNLM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.34
Rot. Bonds4

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

3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol (PubChem CID 82857287) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
PubChem CID82857287
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
SMILESCOc1cc(Br)cc(NC(C)c2cccc(O)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10(11-4-3-5-14(18)6-11)17-13-7-12(16)8-15(9-13)19-2/h3-10,17-18H,1-2H3
InChIKeyYJDNPZCWEGCNLM-UHFFFAOYSA-N
XLogP4.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857288
3-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-methoxyaniline
CID 82860544
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
N-[1-(3-bromophenyl)ethyl]-3-methoxy-5-nitroaniline
CID 80732753
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol?
The IUPAC name of 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol (CID 82857287) is 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol is COc1cc(Br)cc(NC(C)c2cccc(O)c2)c1.
What is the InChIKey of 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol?
The InChIKey is YJDNPZCWEGCNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(11-4-3-5-14(18)6-11)17-13-7-12(16)8-15(9-13)19-2/h3-10,17-18H,1-2H3.
What are the key properties of 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol?
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol has a molecular weight of 322.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol is sourced from PubChem (CID 82857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).