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

C16H20N2O — CID 22688623

IUPAC3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccccc2CN)c1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-5-9-16(10-15)19-12-14-7-4-3-6-13(14)11-17/h3-10H,11-12,17H2,1-2H3
InChIKeyHAVXPMSJHIJLLX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.79
Rot. Bonds5

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

3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline (PubChem CID 22688623) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
PubChem CID22688623
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccccc2CN)c1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-5-9-16(10-15)19-12-14-7-4-3-6-13(14)11-17/h3-10H,11-12,17H2,1-2H3
InChIKeyHAVXPMSJHIJLLX-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484882
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzenecarbothioamide
CID 102666583
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzonitrile
CID 102665903
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
3-(dithiin-3-ylmethoxy)-N,N-dimethylaniline
CID 86751069
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline (CID 22688623) is 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2ccccc2CN)c1.
What is the InChIKey of 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline?
The InChIKey is HAVXPMSJHIJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)15-8-5-9-16(10-15)19-12-14-7-4-3-6-13(14)11-17/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline?
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline has a molecular weight of 256.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 22688623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).