N-[(3-butoxyphenyl)methyl]-3-methoxyaniline

C18H23NO2 — CID 39386916

IUPACN-[(3-butoxyphenyl)methyl]-3-methoxyaniline
SMILESCCCCOc1cccc(CNc2cccc(OC)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-4-11-21-18-10-5-7-15(12-18)14-19-16-8-6-9-17(13-16)20-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3
InChIKeyRACXZHOCBOKAET-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds8

About N-[(3-butoxyphenyl)methyl]-3-methoxyaniline

N-[(3-butoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 39386916) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-3-methoxyaniline
PubChem CID39386916
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3-butoxyphenyl)methyl]-3-methoxyaniline
SMILESCCCCOc1cccc(CNc2cccc(OC)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-4-11-21-18-10-5-7-15(12-18)14-19-16-8-6-9-17(13-16)20-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3
InChIKeyRACXZHOCBOKAET-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

Computed Properties (RDKit)

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

Analyze N-[(3-butoxyphenyl)methyl]-3-methoxyaniline 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-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(3-butoxyphenyl)methyl]-3-chloroaniline
CID 39394943
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-3-methoxyaniline (CID 39386916) is N-[(3-butoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-3-methoxyaniline is CCCCOc1cccc(CNc2cccc(OC)c2)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is RACXZHOCBOKAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-11-21-18-10-5-7-15(12-18)14-19-16-8-6-9-17(13-16)20-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3.
What are the key properties of N-[(3-butoxyphenyl)methyl]-3-methoxyaniline?
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline 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-[(3-butoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 39386916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).