N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline

C17H20BrNO — CID 126120613

IUPACN-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1ccc(CNc2ccc(C)cc2C)cc1Br
InChIInChI=1S/C17H20BrNO/c1-4-20-17-8-6-14(10-15(17)18)11-19-16-7-5-12(2)9-13(16)3/h5-10,19H,4,11H2,1-3H3
InChIKeyIUUGMPFIKORYHU-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.08
Rot. Bonds5

About N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline

N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 126120613) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID126120613
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1ccc(CNc2ccc(C)cc2C)cc1Br
InChIInChI=1S/C17H20BrNO/c1-4-20-17-8-6-14(10-15(17)18)11-19-16-7-5-12(2)9-13(16)3/h5-10,19H,4,11H2,1-3H3
InChIKeyIUUGMPFIKORYHU-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline 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-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
CID 1210744
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126127933
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
[2-bromo-4-[(2,4-dimethylanilino)methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate
CID 126125527
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380816
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline (CID 126120613) is N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline is CCOc1ccc(CNc2ccc(C)cc2C)cc1Br.
What is the InChIKey of N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is IUUGMPFIKORYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-17-8-6-14(10-15(17)18)11-19-16-7-5-12(2)9-13(16)3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).