N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine

C18H24N2O — CID 103433341

IUPACN-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H24N2O/c1-5-10-20-17(15-8-11-19-12-9-15)16-7-6-13(2)14(3)18(16)21-4/h6-9,11-12,17,20H,5,10H2,1-4H3
InChIKeyDGAAEDXLCUPTMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 103433341) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID103433341
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H24N2O/c1-5-10-20-17(15-8-11-19-12-9-15)16-7-6-13(2)14(3)18(16)21-4/h6-9,11-12,17,20H,5,10H2,1-4H3
InChIKeyDGAAEDXLCUPTMK-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(2-methoxy-3,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 103433605
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 43496227
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
N-[pyridin-4-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62963949

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine (CID 103433341) is N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is DGAAEDXLCUPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-10-20-17(15-8-11-19-12-9-15)16-7-6-13(2)14(3)18(16)21-4/h6-9,11-12,17,20H,5,10H2,1-4H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 103433341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).