2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline

C16H20N2O — CID 63785861

IUPAC2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccccc2CCN)c1
InChIInChI=1S/C16H20N2O/c1-18(14-7-5-8-15(12-14)19-2)16-9-4-3-6-13(16)10-11-17/h3-9,12H,10-11,17H2,1-2H3
InChIKeyONCKQGUHNDGAPU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline

2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 63785861) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID63785861
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccccc2CCN)c1
InChIInChI=1S/C16H20N2O/c1-18(14-7-5-8-15(12-14)19-2)16-9-4-3-6-13(16)10-11-17/h3-9,12H,10-11,17H2,1-2H3
InChIKeyONCKQGUHNDGAPU-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 63786185
2-(2-aminoethyl)-N-methyl-N-phenylaniline
CID 63784561
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 79519487
3-methoxy-N,N-disilylaniline
CID 149149494
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline (CID 63785861) is 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline is COc1cccc(N(C)c2ccccc2CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is ONCKQGUHNDGAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(14-7-5-8-15(12-14)19-2)16-9-4-3-6-13(16)10-11-17/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline?
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 63785861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).