N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine

C18H24N2O — CID 65313561

IUPACN-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)c1ncccc1C
InChIInChI=1S/C18H24N2O/c1-5-10-19-18(17-13(2)7-6-11-20-17)16-9-8-15(21-4)12-14(16)3/h6-9,11-12,18-19H,5,10H2,1-4H3
InChIKeyIBSMBUMCWUFGPH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine

N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 65313561) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID65313561
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)c1ncccc1C
InChIInChI=1S/C18H24N2O/c1-5-10-19-18(17-13(2)7-6-11-20-17)16-9-8-15(21-4)12-14(16)3/h6-9,11-12,18-19H,5,10H2,1-4H3
InChIKeyIBSMBUMCWUFGPH-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-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 65313144
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
[(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209313
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine (CID 65313561) is N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1C)c1ncccc1C.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is IBSMBUMCWUFGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-10-19-18(17-13(2)7-6-11-20-17)16-9-8-15(21-4)12-14(16)3/h6-9,11-12,18-19H,5,10H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]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-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 65313561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).