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

C17H20BrNO2 — CID 43230853

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C17H20BrNO2/c1-12(14-7-8-17(21-3)16(18)10-14)19-11-13-5-4-6-15(9-13)20-2/h4-10,12,19H,11H2,1-3H3
InChIKeyVFCZDNKCKNTVEA-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.32
Rot. Bonds6

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

1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 43230853) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID43230853
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C17H20BrNO2/c1-12(14-7-8-17(21-3)16(18)10-14)19-11-13-5-4-6-15(9-13)20-2/h4-10,12,19H,11H2,1-3H3
InChIKeyVFCZDNKCKNTVEA-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
3-[[1-(3-bromo-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 112802015
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 43230853) is 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNC(C)c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is VFCZDNKCKNTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(14-7-8-17(21-3)16(18)10-14)19-11-13-5-4-6-15(9-13)20-2/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43230853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).