N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine

C20H20N2O — CID 21071539

IUPACN-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(Oc2cccc(CNCCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O/c1-2-9-19(10-3-1)23-20-11-6-7-17(15-20)16-21-14-12-18-8-4-5-13-22-18/h1-11,13,15,21H,12,14,16H2
InChIKeyBAZHYXMWAOWJQQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.21
Rot. Bonds7

About N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 21071539) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID21071539
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(Oc2cccc(CNCCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O/c1-2-9-19(10-3-1)23-20-11-6-7-17(15-20)16-21-14-12-18-8-4-5-13-22-18/h1-11,13,15,21H,12,14,16H2
InChIKeyBAZHYXMWAOWJQQ-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 70077436
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
3-[(3-phenoxyphenyl)methylamino]propanenitrile
CID 28728151
3-phenoxy-N-(pyridin-2-ylmethyl)aniline
CID 61369486
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960731
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine (CID 21071539) is N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine is c1ccc(Oc2cccc(CNCCc3ccccn3)c2)cc1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is BAZHYXMWAOWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-9-19(10-3-1)23-20-11-6-7-17(15-20)16-21-14-12-18-8-4-5-13-22-18/h1-11,13,15,21H,12,14,16H2.
What are the key properties of N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 304.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 21071539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).