1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

C18H24N2 — CID 81405582

IUPAC1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-4-15-6-8-17(9-7-15)18(5-2)20-14(3)16-10-12-19-13-11-16/h6-14,18,20H,4-5H2,1-3H3/t14-,18?/m0/s1
InChIKeyYAHLPJKJTZBEAN-PIVQAISJSA-N
MW268.40 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 81405582) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID81405582
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-4-15-6-8-17(9-7-15)18(5-2)20-14(3)16-10-12-19-13-11-16/h6-14,18,20H,4-5H2,1-3H3/t14-,18?/m0/s1
InChIKeyYAHLPJKJTZBEAN-PIVQAISJSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (CID 81405582) is 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is CCc1ccc(C(CC)N[C@@H](C)c2ccncc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is YAHLPJKJTZBEAN-PIVQAISJSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-15-6-8-17(9-7-15)18(5-2)20-14(3)16-10-12-19-13-11-16/h6-14,18,20H,4-5H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 81405582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).