3,5-dimethoxy-N-(4-phenylbutyl)aniline

C18H23NO2 — CID 114333116

IUPAC3,5-dimethoxy-N-(4-phenylbutyl)aniline
SMILESCOc1cc(NCCCCc2ccccc2)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-20-17-12-16(13-18(14-17)21-2)19-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3
InChIKeyXPFUTYGBRKCLSB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds8

About 3,5-dimethoxy-N-(4-phenylbutyl)aniline

3,5-dimethoxy-N-(4-phenylbutyl)aniline (PubChem CID 114333116) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-phenylbutyl)aniline
PubChem CID114333116
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,5-dimethoxy-N-(4-phenylbutyl)aniline
SMILESCOc1cc(NCCCCc2ccccc2)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-20-17-12-16(13-18(14-17)21-2)19-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3
InChIKeyXPFUTYGBRKCLSB-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-N-(4-phenylbutyl)aniline 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

3,5-dimethoxy-N-pentylaniline
CID 28575532
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(4-phenylbutyl)aniline?
The IUPAC name of 3,5-dimethoxy-N-(4-phenylbutyl)aniline (CID 114333116) is 3,5-dimethoxy-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-N-(4-phenylbutyl)aniline?
The canonical SMILES for 3,5-dimethoxy-N-(4-phenylbutyl)aniline is COc1cc(NCCCCc2ccccc2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4-phenylbutyl)aniline?
The InChIKey is XPFUTYGBRKCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-17-12-16(13-18(14-17)21-2)19-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3.
What are the key properties of 3,5-dimethoxy-N-(4-phenylbutyl)aniline?
3,5-dimethoxy-N-(4-phenylbutyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).