N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine

C17H18N2O — CID 79508246

IUPACN-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc(Oc2cccc(NC3=NCCCC3)c2)cc1
InChIInChI=1S/C17H18N2O/c1-2-8-15(9-3-1)20-16-10-6-7-14(13-16)19-17-11-4-5-12-18-17/h1-3,6-10,13H,4-5,11-12H2,(H,18,19)
InChIKeyQNLIOQRERWJJOJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.47
Rot. Bonds3

About N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508246) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508246
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc(Oc2cccc(NC3=NCCCC3)c2)cc1
InChIInChI=1S/C17H18N2O/c1-2-8-15(9-3-1)20-16-10-6-7-14(13-16)19-17-11-4-5-12-18-17/h1-3,6-10,13H,4-5,11-12H2,(H,18,19)
InChIKeyQNLIOQRERWJJOJ-UHFFFAOYSA-N
XLogP4.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508246) is N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine is c1ccc(Oc2cccc(NC3=NCCCC3)c2)cc1.
What is the InChIKey of N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is QNLIOQRERWJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-8-15(9-3-1)20-16-10-6-7-14(13-16)19-17-11-4-5-12-18-17/h1-3,6-10,13H,4-5,11-12H2,(H,18,19).
What are the key properties of N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 266.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).