4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol

C17H20BrNO2 — CID 61237653

IUPAC4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-12(14-5-8-17(21-2)16(18)11-14)19-10-9-13-3-6-15(20)7-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyQLLRQQQTIYUNTC-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.06
Rot. Bonds6

About 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol

4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol (PubChem CID 61237653) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
PubChem CID61237653
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-12(14-5-8-17(21-2)16(18)11-14)19-10-9-13-3-6-15(20)7-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyQLLRQQQTIYUNTC-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
1-(3-bromo-4-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238584
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 65036741
2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106236290

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol (CID 61237653) is 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol is COc1ccc(C(C)NCCc2ccc(O)cc2)cc1Br.
What is the InChIKey of 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol?
The InChIKey is QLLRQQQTIYUNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(14-5-8-17(21-2)16(18)11-14)19-10-9-13-3-6-15(20)7-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3.
What are the key properties of 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol?
4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol has a molecular weight of 350.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 61237653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).