3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline

C15H18N2 — CID 112650029

IUPAC3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCCc1cccc(NCc2ncccc2C)c1
InChIInChI=1S/C15H18N2/c1-3-13-7-4-8-14(10-13)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3
InChIKeyVZDIHUGBLPWABJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.56
Rot. Bonds4

About 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline

3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline (PubChem CID 112650029) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
PubChem CID112650029
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCCc1cccc(NCc2ncccc2C)c1
InChIInChI=1S/C15H18N2/c1-3-13-7-4-8-14(10-13)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3
InChIKeyVZDIHUGBLPWABJ-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
CID 112650045
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28584402
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
CID 112649993
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63675740

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline (CID 112650029) is 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline is CCc1cccc(NCc2ncccc2C)c1.
What is the InChIKey of 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is VZDIHUGBLPWABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-13-7-4-8-14(10-13)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline?
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 112650029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).