N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine

C16H20N2 — CID 11971136

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
SMILESCc1cccc(CNC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H20N2/c1-13-7-6-10-16(18-13)12-17-14(2)11-15-8-4-3-5-9-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyDDVIFPMDYGUUIH-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.11
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine

N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine (PubChem CID 11971136) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
PubChem CID11971136
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
SMILESCc1cccc(CNC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H20N2/c1-13-7-6-10-16(18-13)12-17-14(2)11-15-8-4-3-5-9-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyDDVIFPMDYGUUIH-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine (CID 11971136) is N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine is Cc1cccc(CNC(C)Cc2ccccc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is DDVIFPMDYGUUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-7-6-10-16(18-13)12-17-14(2)11-15-8-4-3-5-9-15/h3-10,14,17H,11-12H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine?
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 11971136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).