N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine

C16H20N2O — CID 79168443

IUPACN-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-16-8-5-10-17-12-16/h4-8,10-13,18H,3,9H2,1-2H3
InChIKeyGVJKZKFRHLNRCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.93
Rot. Bonds6

About N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine

N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine (PubChem CID 79168443) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
PubChem CID79168443
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-16-8-5-10-17-12-16/h4-8,10-13,18H,3,9H2,1-2H3
InChIKeyGVJKZKFRHLNRCP-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-[3-(5-bromo-2-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 107284781
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
N-[1-[3-(4-bromo-2-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 79166444
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine (CID 79168443) is N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1cccc(Oc2cccnc2)c1.
What is the InChIKey of N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine?
The InChIKey is GVJKZKFRHLNRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-16-8-5-10-17-12-16/h4-8,10-13,18H,3,9H2,1-2H3.
What are the key properties of N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine?
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79168443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).