3-[2-(N-ethyl-4-methylanilino)ethyl]aniline

C17H22N2 — CID 65347516

IUPAC3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-19(17-9-7-14(2)8-10-17)12-11-15-5-4-6-16(18)13-15/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyGFJDWQIXZXAJEZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.65
Rot. Bonds5

About 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline

3-[2-(N-ethyl-4-methylanilino)ethyl]aniline (PubChem CID 65347516) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
PubChem CID65347516
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-19(17-9-7-14(2)8-10-17)12-11-15-5-4-6-16(18)13-15/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyGFJDWQIXZXAJEZ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline?
The IUPAC name of 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline (CID 65347516) is 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline.
What is the SMILES notation for 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline?
The canonical SMILES for 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline is CCN(CCc1cccc(N)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline?
The InChIKey is GFJDWQIXZXAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19(17-9-7-14(2)8-10-17)12-11-15-5-4-6-16(18)13-15/h4-10,13H,3,11-12,18H2,1-2H3.
What are the key properties of 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline?
3-[2-(N-ethyl-4-methylanilino)ethyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(N-ethyl-4-methylanilino)ethyl]aniline is sourced from PubChem (CID 65347516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).