3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine

C17H23N3 — CID 81246615

IUPAC3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccccc1C
InChIInChI=1S/C17H23N3/c1-4-18-11-16-12-19-10-9-17(16)20(3)13-15-8-6-5-7-14(15)2/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyOXOIFYIFWZECGQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds6

About 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine

3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine (PubChem CID 81246615) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
PubChem CID81246615
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccccc1C
InChIInChI=1S/C17H23N3/c1-4-18-11-16-12-19-10-9-17(16)20(3)13-15-8-6-5-7-14(15)2/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyOXOIFYIFWZECGQ-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073707
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
3-(ethylaminomethyl)-N-methyl-N-(2-phenylethyl)pyridin-4-amine
CID 81248283
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
N-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81246461
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81248305
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine (CID 81246615) is 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine is CCNCc1cnccc1N(C)Cc1ccccc1C.
What is the InChIKey of 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine?
The InChIKey is OXOIFYIFWZECGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-18-11-16-12-19-10-9-17(16)20(3)13-15-8-6-5-7-14(15)2/h5-10,12,18H,4,11,13H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine?
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 81246615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).