N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C17H22N2O — CID 66272903

IUPACN-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1cnccc1C
InChIInChI=1S/C17H22N2O/c1-4-9-19-17(16-12-18-10-8-13(16)2)14-6-5-7-15(11-14)20-3/h5-8,10-12,17,19H,4,9H2,1-3H3
InChIKeyPYZNFXOAMCZKTH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 66272903) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID66272903
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1cnccc1C
InChIInChI=1S/C17H22N2O/c1-4-9-19-17(16-12-18-10-8-13(16)2)14-6-5-7-15(11-14)20-3/h5-8,10-12,17,19H,4,9H2,1-3H3
InChIKeyPYZNFXOAMCZKTH-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 66272903) is N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1cnccc1C.
What is the InChIKey of N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is PYZNFXOAMCZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-9-19-17(16-12-18-10-8-13(16)2)14-6-5-7-15(11-14)20-3/h5-8,10-12,17,19H,4,9H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 66272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).