N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine

C17H22N2O — CID 89132277

IUPACN-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine
SMILESCC(C)NOC(CCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-14(2)19-20-17(15-8-4-3-5-9-15)12-11-16-10-6-7-13-18-16/h3-10,13-14,17,19H,11-12H2,1-2H3
InChIKeyPJIGXSSLDBPAFR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.69
Rot. Bonds7

About N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine

N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine (PubChem CID 89132277) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine.

Molecular Properties

Compound NameN-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine
PubChem CID89132277
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine
SMILESCC(C)NOC(CCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-14(2)19-20-17(15-8-4-3-5-9-15)12-11-16-10-6-7-13-18-16/h3-10,13-14,17,19H,11-12H2,1-2H3
InChIKeyPJIGXSSLDBPAFR-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
CID 89132307
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine?
The IUPAC name of N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine (CID 89132277) is N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine.
What is the SMILES notation for N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine?
The canonical SMILES for N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine is CC(C)NOC(CCc1ccccn1)c1ccccc1.
What is the InChIKey of N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine?
The InChIKey is PJIGXSSLDBPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14(2)19-20-17(15-8-4-3-5-9-15)12-11-16-10-6-7-13-18-16/h3-10,13-14,17,19H,11-12H2,1-2H3.
What are the key properties of N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine?
N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-pyridin-2-ylpropoxy)propan-2-amine is sourced from PubChem (CID 89132277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).