1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

C27H26N2O — CID 55824515

IUPAC1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESc1ccc(CC(NCc2ccc(OCc3ccccn3)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O/c1-3-9-22(10-4-1)19-27(24-11-5-2-6-12-24)29-20-23-14-16-26(17-15-23)30-21-25-13-7-8-18-28-25/h1-18,27,29H,19-21H2
InChIKeyOAQPXAFUIDCFGM-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.73
Rot. Bonds9

About 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 55824515) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID55824515
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESc1ccc(CC(NCc2ccc(OCc3ccccn3)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O/c1-3-9-22(10-4-1)19-27(24-11-5-2-6-12-24)29-20-23-14-16-26(17-15-23)30-21-25-13-7-8-18-28-25/h1-18,27,29H,19-21H2
InChIKeyOAQPXAFUIDCFGM-UHFFFAOYSA-N
XLogP5.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 54136965
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 109409779
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (CID 55824515) is 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is c1ccc(CC(NCc2ccc(OCc3ccccn3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is OAQPXAFUIDCFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-3-9-22(10-4-1)19-27(24-11-5-2-6-12-24)29-20-23-14-16-26(17-15-23)30-21-25-13-7-8-18-28-25/h1-18,27,29H,19-21H2.
What are the key properties of 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 394.52 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 55824515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).