N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine

C15H18N2 — CID 130854459

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1cc(C)c(CNCc2ccccc2)cn1
InChIInChI=1S/C15H18N2/c1-12-8-13(2)17-11-15(12)10-16-9-14-6-4-3-5-7-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyRUWBYULVPGFHPS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.99
Rot. Bonds4

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine

N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 130854459) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID130854459
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1cc(C)c(CNCc2ccccc2)cn1
InChIInChI=1S/C15H18N2/c1-12-8-13(2)17-11-15(12)10-16-9-14-6-4-3-5-7-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyRUWBYULVPGFHPS-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine (CID 130854459) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine is Cc1cc(C)c(CNCc2ccccc2)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is RUWBYULVPGFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-8-13(2)17-11-15(12)10-16-9-14-6-4-3-5-7-14/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 130854459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).