N-methyl-N-(1-phenylpropyl)pyridin-4-amine

C15H18N2 — CID 23457999

IUPACN-methyl-N-(1-phenylpropyl)pyridin-4-amine
SMILESCCC(c1ccccc1)N(C)c1ccncc1
InChIInChI=1S/C15H18N2/c1-3-15(13-7-5-4-6-8-13)17(2)14-9-11-16-12-10-14/h4-12,15H,3H2,1-2H3
InChIKeyJDRFJWXZWAUSRE-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-N-(1-phenylpropyl)pyridin-4-amine

N-methyl-N-(1-phenylpropyl)pyridin-4-amine (PubChem CID 23457999) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-(1-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1-phenylpropyl)pyridin-4-amine
PubChem CID23457999
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-N-(1-phenylpropyl)pyridin-4-amine
SMILESCCC(c1ccccc1)N(C)c1ccncc1
InChIInChI=1S/C15H18N2/c1-3-15(13-7-5-4-6-8-13)17(2)14-9-11-16-12-10-14/h4-12,15H,3H2,1-2H3
InChIKeyJDRFJWXZWAUSRE-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylpropyl)pyridin-4-amine?
The IUPAC name of N-methyl-N-(1-phenylpropyl)pyridin-4-amine (CID 23457999) is N-methyl-N-(1-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(1-phenylpropyl)pyridin-4-amine?
The canonical SMILES for N-methyl-N-(1-phenylpropyl)pyridin-4-amine is CCC(c1ccccc1)N(C)c1ccncc1.
What is the InChIKey of N-methyl-N-(1-phenylpropyl)pyridin-4-amine?
The InChIKey is JDRFJWXZWAUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-15(13-7-5-4-6-8-13)17(2)14-9-11-16-12-10-14/h4-12,15H,3H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenylpropyl)pyridin-4-amine?
N-methyl-N-(1-phenylpropyl)pyridin-4-amine has a molecular weight of 226.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 23457999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).