3-(2-aminoethyl)-N-methyl-2-phenylaniline

C15H18N2 — CID 145189923

IUPAC3-(2-aminoethyl)-N-methyl-2-phenylaniline
SMILESCNc1cccc(CCN)c1-c1ccccc1
InChIInChI=1S/C15H18N2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,17H,10-11,16H2,1H3
InChIKeyAGTWOHGLCKSURY-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-aminoethyl)-N-methyl-2-phenylaniline

3-(2-aminoethyl)-N-methyl-2-phenylaniline (PubChem CID 145189923) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-2-phenylaniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-2-phenylaniline
PubChem CID145189923
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-(2-aminoethyl)-N-methyl-2-phenylaniline
SMILESCNc1cccc(CCN)c1-c1ccccc1
InChIInChI=1S/C15H18N2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,17H,10-11,16H2,1H3
InChIKeyAGTWOHGLCKSURY-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenyl-3-propylphenyl)hydrazine
CID 174951593
3-(2-aminoethyl)-N-methylnaphthalen-2-amine
CID 135381442
1,3-dibutyl-2-phenylbenzene
CID 15421912
2-[3-(3-amino-3-methylbutyl)-2-phenylphenyl]acetonitrile
CID 125496428
2-(2-chloroethyl)-N-methylaniline
CID 54331178
2-(2-aminoethyl)-N-ethynylaniline
CID 142905863
2-[3-fluoro-2-[(2-fluorophenyl)methyl]phenyl]ethanamine
CID 20642648
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2-aminoethyl)aniline;ethane
CID 90745291
2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 175847129
N-methyl-2-(methylaminomethyl)aniline
CID 576504
azane;2-(2-chlorophenyl)ethanamine
CID 70087147

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-2-phenylaniline?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-2-phenylaniline (CID 145189923) is 3-(2-aminoethyl)-N-methyl-2-phenylaniline.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-2-phenylaniline?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-2-phenylaniline is CNc1cccc(CCN)c1-c1ccccc1.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-2-phenylaniline?
The InChIKey is AGTWOHGLCKSURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-2-phenylaniline?
3-(2-aminoethyl)-N-methyl-2-phenylaniline has a molecular weight of 226.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-2-phenylaniline is sourced from PubChem (CID 145189923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).