3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

C16H20N2O — CID 81409698

IUPAC3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2O/c1-14(15-8-11-17-12-9-15)18-10-5-13-19-16-6-3-2-4-7-16/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3/t14-/m1/s1
InChIKeyFTWWOELBXCKCFQ-CQSZACIVSA-N
MW256.35 g/mol
LogP3.20
Rot. Bonds7

About 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 81409698) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID81409698
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2O/c1-14(15-8-11-17-12-9-15)18-10-5-13-19-16-6-3-2-4-7-16/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3/t14-/m1/s1
InChIKeyFTWWOELBXCKCFQ-CQSZACIVSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.20
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-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (CID 81409698) is 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is C[C@@H](NCCCOc1ccccc1)c1ccncc1.
What is the InChIKey of 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is FTWWOELBXCKCFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14(15-8-11-17-12-9-15)18-10-5-13-19-16-6-3-2-4-7-16/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3/t14-/m1/s1.
What are the key properties of 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 81409698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).