1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

C16H17Br2NO — CID 22483194

IUPAC1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-9,11,19H,10H2,1-2H3
InChIKeyQCKKVONIRHOJNA-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.07
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 22483194) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID22483194
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-9,11,19H,10H2,1-2H3
InChIKeyQCKKVONIRHOJNA-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
(1S)-1-(2-bromo-4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 99820499
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 22483194) is 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is QCKKVONIRHOJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 399.13 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 22483194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).