N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine

C16H20N2 — CID 82452414

IUPACN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1nc(-c2ccccc2)ccc1CNC(C)C
InChIInChI=1S/C16H20N2/c1-12(2)17-11-15-9-10-16(18-13(15)3)14-7-5-4-6-8-14/h4-10,12,17H,11H2,1-3H3
InChIKeyLBWWFBXUORHYDY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.56
Rot. Bonds4

About N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine

N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 82452414) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
PubChem CID82452414
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1nc(-c2ccccc2)ccc1CNC(C)C
InChIInChI=1S/C16H20N2/c1-12(2)17-11-15-9-10-16(18-13(15)3)14-7-5-4-6-8-14/h4-10,12,17H,11H2,1-3H3
InChIKeyLBWWFBXUORHYDY-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine (CID 82452414) is N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine is Cc1nc(-c2ccccc2)ccc1CNC(C)C.
What is the InChIKey of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is LBWWFBXUORHYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)17-11-15-9-10-16(18-13(15)3)14-7-5-4-6-8-14/h4-10,12,17H,11H2,1-3H3.
What are the key properties of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine?
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 82452414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).