1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine

C16H20N2O — CID 102545461

IUPAC1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(OCc2ccccc2)cc1C
InChIInChI=1S/C16H20N2O/c1-3-15(17)14-10-18-16(9-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3
InChIKeyUADARPSWSSKBMU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine

1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine (PubChem CID 102545461) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
PubChem CID102545461
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(OCc2ccccc2)cc1C
InChIInChI=1S/C16H20N2O/c1-3-15(17)14-10-18-16(9-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3
InChIKeyUADARPSWSSKBMU-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine (CID 102545461) is 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine is CCC(N)c1cnc(OCc2ccccc2)cc1C.
What is the InChIKey of 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine?
The InChIKey is UADARPSWSSKBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-15(17)14-10-18-16(9-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3.
What are the key properties of 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine?
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 102545461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).