N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

C21H22N2 — CID 22391380

IUPACN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1
InChIInChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3
InChIKeyGICGPRPCEOYFMF-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.91
Rot. Bonds5

About N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (PubChem CID 22391380) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
PubChem CID22391380
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1
InChIInChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3
InChIKeyGICGPRPCEOYFMF-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (CID 22391380) is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is Cc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1.
What is the InChIKey of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The InChIKey is GICGPRPCEOYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3.
What are the key properties of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine has a molecular weight of 302.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 22391380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).