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

C16H18BrNO — CID 22042659

IUPAC4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
SMILESCOc1ccc(CN(C)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-12-10-14(17)6-9-16(12)18(2)11-13-4-7-15(19-3)8-5-13/h4-10H,11H2,1-3H3
InChIKeyQMYFWWMZNYIRJY-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.40
Rot. Bonds4

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

4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline (PubChem CID 22042659) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
PubChem CID22042659
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
SMILESCOc1ccc(CN(C)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-12-10-14(17)6-9-16(12)18(2)11-13-4-7-15(19-3)8-5-13/h4-10H,11H2,1-3H3
InChIKeyQMYFWWMZNYIRJY-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 82956592
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833
4-(1-aminoethyl)-2-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 62909906
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 47071365
2-(bromomethyl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081022
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylaniline
CID 107081032
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43508695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline?
The IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline (CID 22042659) is 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline is COc1ccc(CN(C)c2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline?
The InChIKey is QMYFWWMZNYIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-10-14(17)6-9-16(12)18(2)11-13-4-7-15(19-3)8-5-13/h4-10H,11H2,1-3H3.
What are the key properties of 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline?
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 22042659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).