1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine

C18H24N2 — CID 60913064

IUPAC1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCc2cccnc2)cc1
InChIInChI=1S/C18H24N2/c1-3-15-7-9-17(10-8-15)18(4-2)20-13-11-16-6-5-12-19-14-16/h5-10,12,14,18,20H,3-4,11,13H2,1-2H3
InChIKeyXMALIEQCCSHFHT-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.93
Rot. Bonds7

About 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine

1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine (PubChem CID 60913064) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
PubChem CID60913064
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCc2cccnc2)cc1
InChIInChI=1S/C18H24N2/c1-3-15-7-9-17(10-8-15)18(4-2)20-13-11-16-6-5-12-19-14-16/h5-10,12,14,18,20H,3-4,11,13H2,1-2H3
InChIKeyXMALIEQCCSHFHT-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
CID 104736871
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
3-ethylpyridine
CID 10823
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine (CID 60913064) is 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine is CCc1ccc(C(CC)NCCc2cccnc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is XMALIEQCCSHFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-15-7-9-17(10-8-15)18(4-2)20-13-11-16-6-5-12-19-14-16/h5-10,12,14,18,20H,3-4,11,13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 60913064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).