4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline

C16H20N2 — CID 114078614

IUPAC4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
SMILESCCc1ccc(NCc2cnccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-4-14-5-6-16(9-13(14)3)18-11-15-10-17-8-7-12(15)2/h5-10,18H,4,11H2,1-3H3
InChIKeyWGTBHJOVDJJEEX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.87
Rot. Bonds4

About 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline

4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline (PubChem CID 114078614) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
PubChem CID114078614
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
SMILESCCc1ccc(NCc2cnccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-4-14-5-6-16(9-13(14)3)18-11-15-10-17-8-7-12(15)2/h5-10,18H,4,11H2,1-3H3
InChIKeyWGTBHJOVDJJEEX-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114078615
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
CID 114956606
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline (CID 114078614) is 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline is CCc1ccc(NCc2cnccc2C)cc1C.
What is the InChIKey of 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is WGTBHJOVDJJEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-14-5-6-16(9-13(14)3)18-11-15-10-17-8-7-12(15)2/h5-10,18H,4,11H2,1-3H3.
What are the key properties of 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114078614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).