3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine

C17H22N2O — CID 7273099

IUPAC3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
SMILESCCOCCCN[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C17H22N2O/c1-2-20-14-6-11-19-17(15-7-4-3-5-8-15)16-9-12-18-13-10-16/h3-5,7-10,12-13,17,19H,2,6,11,14H2,1H3/t17-/m0/s1
InChIKeyNHRQXELOVFXXSD-KRWDZBQOSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds8

About 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine

3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine (PubChem CID 7273099) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
PubChem CID7273099
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
SMILESCCOCCCN[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C17H22N2O/c1-2-20-14-6-11-19-17(15-7-4-3-5-8-15)16-9-12-18-13-10-16/h3-5,7-10,12-13,17,19H,2,6,11,14H2,1H3/t17-/m0/s1
InChIKeyNHRQXELOVFXXSD-KRWDZBQOSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
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

3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
3-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 115971802
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-benzhydryldecan-1-amine
CID 57251579
N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide
CID 77028617
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine (CID 7273099) is 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine is CCOCCCN[C@@H](c1ccccc1)c1ccncc1.
What is the InChIKey of 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine?
The InChIKey is NHRQXELOVFXXSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-20-14-6-11-19-17(15-7-4-3-5-8-15)16-9-12-18-13-10-16/h3-5,7-10,12-13,17,19H,2,6,11,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine?
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 7273099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).