3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline

C16H19ClN2O — CID 102663561

IUPAC3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(9-14)20-11-13-7-6-12(10-18)8-16(13)17/h3-9H,10-11,18H2,1-2H3
InChIKeyPXOUYTDBGBYLNY-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.44
Rot. Bonds5

About 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline

3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline (PubChem CID 102663561) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
PubChem CID102663561
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(9-14)20-11-13-7-6-12(10-18)8-16(13)17/h3-9H,10-11,18H2,1-2H3
InChIKeyPXOUYTDBGBYLNY-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzenecarbothioamide
CID 102666583
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzonitrile
CID 102665903
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline (CID 102663561) is 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2ccc(CN)cc2Cl)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline?
The InChIKey is PXOUYTDBGBYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(9-14)20-11-13-7-6-12(10-18)8-16(13)17/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline?
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline has a molecular weight of 290.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 102663561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).