N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

C16H20N2 — CID 71051284

IUPACN-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCCc1cncc(CN(C)Cc2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-3-14-9-16(11-17-10-14)13-18(2)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3
InChIKeyPKWQCCUHSGNMJA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.28
Rot. Bonds5

About N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 71051284) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID71051284
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCCc1cncc(CN(C)Cc2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-3-14-9-16(11-17-10-14)13-18(2)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3
InChIKeyPKWQCCUHSGNMJA-UHFFFAOYSA-N
XLogP3.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (CID 71051284) is N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is CCc1cncc(CN(C)Cc2ccccc2)c1.
What is the InChIKey of N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is PKWQCCUHSGNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-14-9-16(11-17-10-14)13-18(2)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 71051284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).