1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

C18H24N2O — CID 105179029

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C18H24N2O/c1-13-12-18(21-4)14(2)11-16(13)17(19-3)6-5-15-7-9-20-10-8-15/h7-12,17,19H,5-6H2,1-4H3
InChIKeyRJSHQIVHUBYEJA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105179029) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105179029
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C18H24N2O/c1-13-12-18(21-4)14(2)11-16(13)17(19-3)6-5-15-7-9-20-10-8-15/h7-12,17,19H,5-6H2,1-4H3
InChIKeyRJSHQIVHUBYEJA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105173190
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (CID 105179029) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is CNC(CCc1ccncc1)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is RJSHQIVHUBYEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-12-18(21-4)14(2)11-16(13)17(19-3)6-5-15-7-9-20-10-8-15/h7-12,17,19H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105179029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).