2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C18H24N2 — CID 46996447

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccccc1CN(Cc1ccncc1)CC(C)C
InChIInChI=1S/C18H24N2/c1-15(2)12-20(13-17-8-10-19-11-9-17)14-18-7-5-4-6-16(18)3/h4-11,15H,12-14H2,1-3H3
InChIKeyNGVXZGIYWLHWII-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.05
Rot. Bonds6

About 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 46996447) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID46996447
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccccc1CN(Cc1ccncc1)CC(C)C
InChIInChI=1S/C18H24N2/c1-15(2)12-20(13-17-8-10-19-11-9-17)14-18-7-5-4-6-16(18)3/h4-11,15H,12-14H2,1-3H3
InChIKeyNGVXZGIYWLHWII-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 46996447) is 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is Cc1ccccc1CN(Cc1ccncc1)CC(C)C.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is NGVXZGIYWLHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(2)12-20(13-17-8-10-19-11-9-17)14-18-7-5-4-6-16(18)3/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 46996447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).