4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine

C17H20N2O — CID 68686090

IUPAC4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESCCO/C=C/c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-20-12-10-15-9-11-18-17(13-15)19-14(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,18,19)/b12-10+/t14-/m0/s1
InChIKeySNIDGBAFCUODKR-WONIAPNHSA-N
MW268.36 g/mol
LogP4.26
Rot. Bonds6

About 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine

4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine (PubChem CID 68686090) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
PubChem CID68686090
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESCCO/C=C/c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-20-12-10-15-9-11-18-17(13-15)19-14(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,18,19)/b12-10+/t14-/m0/s1
InChIKeySNIDGBAFCUODKR-WONIAPNHSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine (CID 68686090) is 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is CCO/C=C/c1ccnc(N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The InChIKey is SNIDGBAFCUODKR-WONIAPNHSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-20-12-10-15-9-11-18-17(13-15)19-14(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,18,19)/b12-10+/t14-/m0/s1.
What are the key properties of 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 68686090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).