1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine

C16H20N2O — CID 55243631

IUPAC1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
SMILESNC(COCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-18-11-9-14/h1-3,6-11,16H,4-5,12-13,17H2
InChIKeyWYRSUBMFEVBAPS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds7

About 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine

1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine (PubChem CID 55243631) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
PubChem CID55243631
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
SMILESNC(COCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-18-11-9-14/h1-3,6-11,16H,4-5,12-13,17H2
InChIKeyWYRSUBMFEVBAPS-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 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 ≤ 52.73
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

1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
2-pentoxy-1-phenylethanamine
CID 43275081
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
4-(5-phenoxypentyl)pyridine
CID 117060417
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
3-pyridin-4-ylpropyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 6734135
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine?
The IUPAC name of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine (CID 55243631) is 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine.
What is the SMILES notation for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine?
The canonical SMILES for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine is NC(COCCCc1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine?
The InChIKey is WYRSUBMFEVBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-18-11-9-14/h1-3,6-11,16H,4-5,12-13,17H2.
What are the key properties of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine?
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine is sourced from PubChem (CID 55243631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).