N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C17H20BrNO — CID 115556675

IUPACN-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-7-8-15(17(18)9-12)11-19-13(2)14-5-4-6-16(10-14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyAHUCEBAXEZJWHY-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.62
Rot. Bonds5

About N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 115556675) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID115556675
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-7-8-15(17(18)9-12)11-19-13(2)14-5-4-6-16(10-14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyAHUCEBAXEZJWHY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355551
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102834326

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 115556675) is N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2ccc(C)cc2Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is AHUCEBAXEZJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-7-8-15(17(18)9-12)11-19-13(2)14-5-4-6-16(10-14)20-3/h4-10,13,19H,11H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 115556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).