(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine

C15H18N2O — CID 81404248

IUPAC(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
SMILESC[C@H](NCCOc1ccccc1)c1cccnc1
InChIInChI=1S/C15H18N2O/c1-13(14-6-5-9-16-12-14)17-10-11-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m0/s1
InChIKeyRYLQIRLKWJQCMA-ZDUSSCGKSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds6

About (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine

(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine (PubChem CID 81404248) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
PubChem CID81404248
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
SMILESC[C@H](NCCOc1ccccc1)c1cccnc1
InChIInChI=1S/C15H18N2O/c1-13(14-6-5-9-16-12-14)17-10-11-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m0/s1
InChIKeyRYLQIRLKWJQCMA-ZDUSSCGKSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
CID 66961479
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine (CID 81404248) is (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine is C[C@H](NCCOc1ccccc1)c1cccnc1.
What is the InChIKey of (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine?
The InChIKey is RYLQIRLKWJQCMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O/c1-13(14-6-5-9-16-12-14)17-10-11-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine?
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).