2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine

C21H21NO2 — CID 70077436

IUPAC2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
SMILESc1ccc(OCCNCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-3-9-19(10-4-1)23-15-14-22-17-18-8-7-13-21(16-18)24-20-11-5-2-6-12-20/h1-13,16,22H,14-15,17H2
InChIKeyNLKAQFAYHPMWIQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.65
Rot. Bonds8

About 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine

2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine (PubChem CID 70077436) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
PubChem CID70077436
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
SMILESc1ccc(OCCNCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-3-9-19(10-4-1)23-15-14-22-17-18-8-7-13-21(16-18)24-20-11-5-2-6-12-20/h1-13,16,22H,14-15,17H2
InChIKeyNLKAQFAYHPMWIQ-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-phenoxyethylamino)methyl]benzonitrile
CID 54940215
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
3-[(3-phenoxyphenyl)methylamino]propanenitrile
CID 28728151
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
4-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 60782758
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
3-[2-fluoro-4-[(2-phenoxyethylamino)methyl]phenoxy]phenol
CID 141198947
2-ethylsulfinyl-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 115627050
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
(2R)-2-[3-[(3-phenoxypropylamino)methyl]phenoxy]butanoic acid
CID 70806404

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine (CID 70077436) is 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine is c1ccc(OCCNCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine?
The InChIKey is NLKAQFAYHPMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-9-19(10-4-1)23-15-14-22-17-18-8-7-13-21(16-18)24-20-11-5-2-6-12-20/h1-13,16,22H,14-15,17H2.
What are the key properties of 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine?
2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine has a molecular weight of 319.40 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 70077436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).