N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

C18H24N2O — CID 106755261

IUPACN-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1cc(C)ccc1OC
InChIInChI=1S/C18H24N2O/c1-5-9-20-18(15-8-10-19-14(3)12-15)16-11-13(2)6-7-17(16)21-4/h6-8,10-12,18,20H,5,9H2,1-4H3
InChIKeyDROGGORKUPDCDS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106755261) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106755261
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1cc(C)ccc1OC
InChIInChI=1S/C18H24N2O/c1-5-9-20-18(15-8-10-19-14(3)12-15)16-11-13(2)6-7-17(16)21-4/h6-8,10-12,18,20H,5,9H2,1-4H3
InChIKeyDROGGORKUPDCDS-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-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 62505245
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106883579
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64627916

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106755261) is N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccnc(C)c1)c1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is DROGGORKUPDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-9-20-18(15-8-10-19-14(3)12-15)16-11-13(2)6-7-17(16)21-4/h6-8,10-12,18,20H,5,9H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-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-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106755261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).