N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline

C18H23NO2 — CID 43693650

IUPACN-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccccc2OCC)c1
InChIInChI=1S/C18H23NO2/c1-3-12-21-17-10-7-9-16(13-17)19-14-15-8-5-6-11-18(15)20-4-2/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyLCHVHILDQRDTJE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline

N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline (PubChem CID 43693650) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
PubChem CID43693650
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccccc2OCC)c1
InChIInChI=1S/C18H23NO2/c1-3-12-21-17-10-7-9-16(13-17)19-14-15-8-5-6-11-18(15)20-4-2/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyLCHVHILDQRDTJE-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline 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-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-(2-ethoxyethoxy)-N-[[2-(3-methylbutoxy)phenyl]methyl]aniline
CID 54802121
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
N-[(2-bromophenyl)methyl]-3-ethoxyaniline
CID 54865434
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800929
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline (CID 43693650) is N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccccc2OCC)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline?
The InChIKey is LCHVHILDQRDTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-12-21-17-10-7-9-16(13-17)19-14-15-8-5-6-11-18(15)20-4-2/h5-11,13,19H,3-4,12,14H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline?
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline is sourced from PubChem (CID 43693650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).