3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline

C17H22N2O — CID 105107410

IUPAC3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1CC(N)c1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-19(2)15-9-6-8-13(11-15)16(18)12-14-7-4-5-10-17(14)20-3/h4-11,16H,12,18H2,1-3H3
InChIKeyKYIJYMHEBIQYIP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.00
Rot. Bonds5

About 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline

3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105107410) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
PubChem CID105107410
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1CC(N)c1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-19(2)15-9-6-8-13(11-15)16(18)12-14-7-4-5-10-17(14)20-3/h4-11,16H,12,18H2,1-3H3
InChIKeyKYIJYMHEBIQYIP-UHFFFAOYSA-N
XLogP3.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline (CID 105107410) is 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline is COc1ccccc1CC(N)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is KYIJYMHEBIQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)15-9-6-8-13(11-15)16(18)12-14-7-4-5-10-17(14)20-3/h4-11,16H,12,18H2,1-3H3.
What are the key properties of 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline?
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105107410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).