4-[(N-ethylanilino)methyl]-2-methylaniline

C16H20N2 — CID 28599045

IUPAC4-[(N-ethylanilino)methyl]-2-methylaniline
SMILESCCN(Cc1ccc(N)c(C)c1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-18(15-7-5-4-6-8-15)12-14-9-10-16(17)13(2)11-14/h4-11H,3,12,17H2,1-2H3
InChIKeyTXNFLOSVWDFWNR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.60
Rot. Bonds4

About 4-[(N-ethylanilino)methyl]-2-methylaniline

4-[(N-ethylanilino)methyl]-2-methylaniline (PubChem CID 28599045) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(N-ethylanilino)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(N-ethylanilino)methyl]-2-methylaniline
PubChem CID28599045
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[(N-ethylanilino)methyl]-2-methylaniline
SMILESCCN(Cc1ccc(N)c(C)c1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-18(15-7-5-4-6-8-15)12-14-9-10-16(17)13(2)11-14/h4-11H,3,12,17H2,1-2H3
InChIKeyTXNFLOSVWDFWNR-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
CID 163436090
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
CID 39369760
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]aniline
CID 62470305
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
N,N-diethylaniline;hydrazine
CID 161037544
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethylanilino)methyl]-2-methylaniline?
The IUPAC name of 4-[(N-ethylanilino)methyl]-2-methylaniline (CID 28599045) is 4-[(N-ethylanilino)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(N-ethylanilino)methyl]-2-methylaniline?
The canonical SMILES for 4-[(N-ethylanilino)methyl]-2-methylaniline is CCN(Cc1ccc(N)c(C)c1)c1ccccc1.
What is the InChIKey of 4-[(N-ethylanilino)methyl]-2-methylaniline?
The InChIKey is TXNFLOSVWDFWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-18(15-7-5-4-6-8-15)12-14-9-10-16(17)13(2)11-14/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 4-[(N-ethylanilino)methyl]-2-methylaniline?
4-[(N-ethylanilino)methyl]-2-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethylanilino)methyl]-2-methylaniline is sourced from PubChem (CID 28599045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).