N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine

C16H17BrClNO — CID 43217091

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-11(14-5-3-4-6-15(14)18)19-10-12-9-13(17)7-8-16(12)20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyBOBYLIBCFOHPIH-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.96
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine (PubChem CID 43217091) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
PubChem CID43217091
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-11(14-5-3-4-6-15(14)18)19-10-12-9-13(17)7-8-16(12)20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyBOBYLIBCFOHPIH-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103578117
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008256
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 60946076
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine (CID 43217091) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine is COc1ccc(Br)cc1CNC(C)c1ccccc1Cl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The InChIKey is BOBYLIBCFOHPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-11(14-5-3-4-6-15(14)18)19-10-12-9-13(17)7-8-16(12)20-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 43217091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).