3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline

C17H22N2O — CID 90410895

IUPAC3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline
SMILESCN(C)c1cccc(CCN)c1OCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-10-6-9-15(11-12-18)17(16)20-13-14-7-4-3-5-8-14/h3-10H,11-13,18H2,1-2H3
InChIKeyXPVQQNXCEJNCFO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds6

About 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline

3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline (PubChem CID 90410895) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline
PubChem CID90410895
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline
SMILESCN(C)c1cccc(CCN)c1OCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-10-6-9-15(11-12-18)17(16)20-13-14-7-4-3-5-8-14/h3-10H,11-13,18H2,1-2H3
InChIKeyXPVQQNXCEJNCFO-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline?
The IUPAC name of 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline (CID 90410895) is 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline.
What is the SMILES notation for 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline?
The canonical SMILES for 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline is CN(C)c1cccc(CCN)c1OCc1ccccc1.
What is the InChIKey of 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline?
The InChIKey is XPVQQNXCEJNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)16-10-6-9-15(11-12-18)17(16)20-13-14-7-4-3-5-8-14/h3-10H,11-13,18H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline?
3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline has a molecular weight of 270.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N,N-dimethyl-2-phenylmethoxyaniline is sourced from PubChem (CID 90410895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).