N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine

C22H23NO2 — CID 54797296

IUPACN-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO2/c1-3-8-19(9-4-1)17-23-18-20-10-7-13-22(16-20)25-15-14-24-21-11-5-2-6-12-21/h1-13,16,23H,14-15,17-18H2
InChIKeyXDYDWFIFASPKQG-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.43
Rot. Bonds9

About N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine

N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 54797296) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID54797296
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO2/c1-3-8-19(9-4-1)17-23-18-20-10-7-13-22(16-20)25-15-14-24-21-11-5-2-6-12-21/h1-13,16,23H,14-15,17-18H2
InChIKeyXDYDWFIFASPKQG-UHFFFAOYSA-N
XLogP4.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.43
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

1-(4-tert-butylphenyl)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54804575
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 70077436
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-fluoro-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796489
4-[[(3-propoxyphenyl)methylamino]methyl]benzonitrile
CID 60957812
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803561
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine (CID 54797296) is N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine is c1ccc(CNCc2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is XDYDWFIFASPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-8-19(9-4-1)17-23-18-20-10-7-13-22(16-20)25-15-14-24-21-11-5-2-6-12-21/h1-13,16,23H,14-15,17-18H2.
What are the key properties of N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 333.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 54797296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).