N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine

C16H18N2O — CID 91158559

IUPACN-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine
SMILESc1ccc(-c2cccc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C16H18N2O/c1-2-6-13(7-3-1)15-9-4-10-16(18-15)17-12-14-8-5-11-19-14/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,17,18)
InChIKeyBAWTYXIQQKCGCN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.34
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine

N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine (PubChem CID 91158559) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine
PubChem CID91158559
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine
SMILESc1ccc(-c2cccc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C16H18N2O/c1-2-6-13(7-3-1)15-9-4-10-16(18-15)17-12-14-8-5-11-19-14/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,17,18)
InChIKeyBAWTYXIQQKCGCN-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-{[(3s,4s)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 42636915
6-{[(3r,4r)-4-(2-{[2,2-Difluoro-2-(3-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 46191083
6-{[(3r,4r)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 46225774
6-{[(3s,4r)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 46931225
6-{[(3s,4s)-4-{2-[(2-Fluorobenzyl)amino]ethoxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 56835761
6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-Fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 56951853
6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
CID 137530125
6-[[4-[2-[2-(3-Fluorophenyl)ethylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
CID 44592992
6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CID 46907789
6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CID 46907790
6-{[(3r,4r)-4-(2-{[2,2-Difluoro-2-(4-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 49837755
6-{[(3r,4r)-4-(2-{[2-(2,3-Difluorophenyl)-2,2-Difluoroethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 53364409

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine (CID 91158559) is N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine is c1ccc(-c2cccc(NCC3CCCO3)n2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine?
The InChIKey is BAWTYXIQQKCGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-6-13(7-3-1)15-9-4-10-16(18-15)17-12-14-8-5-11-19-14/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine?
N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-phenylpyridin-2-amine is sourced from PubChem (CID 91158559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).