1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C18H24N2O — CID 82732475

IUPAC1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCc1cccnc1C(CCc1ccc(OC)cc1)NC
InChIInChI=1S/C18H24N2O/c1-4-15-6-5-13-20-18(15)17(19-2)12-9-14-7-10-16(21-3)11-8-14/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3
InChIKeyRSDMFBFJKPWZEC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds7

About 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 82732475) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID82732475
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCc1cccnc1C(CCc1ccc(OC)cc1)NC
InChIInChI=1S/C18H24N2O/c1-4-15-6-5-13-20-18(15)17(19-2)12-9-14-7-10-16(21-3)11-8-14/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3
InChIKeyRSDMFBFJKPWZEC-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 82732475) is 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CCc1cccnc1C(CCc1ccc(OC)cc1)NC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is RSDMFBFJKPWZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-15-6-5-13-20-18(15)17(19-2)12-9-14-7-10-16(21-3)11-8-14/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 82732475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).