2-(2-aminoethyl)-N-methyl-N-phenylaniline

C15H18N2 — CID 63784561

IUPAC2-(2-aminoethyl)-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1CCN
InChIInChI=1S/C15H18N2/c1-17(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16/h2-10H,11-12,16H2,1H3
InChIKeyFELAEYTXFMKXMD-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-aminoethyl)-N-methyl-N-phenylaniline

2-(2-aminoethyl)-N-methyl-N-phenylaniline (PubChem CID 63784561) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-phenylaniline
PubChem CID63784561
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(2-aminoethyl)-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1CCN
InChIInChI=1S/C15H18N2/c1-17(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16/h2-10H,11-12,16H2,1H3
InChIKeyFELAEYTXFMKXMD-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-phenylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-phenylaniline (CID 63784561) is 2-(2-aminoethyl)-N-methyl-N-phenylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-phenylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-phenylaniline?
The InChIKey is FELAEYTXFMKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16/h2-10H,11-12,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-phenylaniline?
2-(2-aminoethyl)-N-methyl-N-phenylaniline has a molecular weight of 226.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-phenylaniline is sourced from PubChem (CID 63784561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).