3-ethyl-N-(4-phenylbutyl)aniline

C18H23N — CID 114333153

IUPAC3-ethyl-N-(4-phenylbutyl)aniline
SMILESCCc1cccc(NCCCCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-2-16-12-8-13-18(15-16)19-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15,19H,2,6-7,11,14H2,1H3
InChIKeyORZYKFIVZSGOKV-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.68
Rot. Bonds7

About 3-ethyl-N-(4-phenylbutyl)aniline

3-ethyl-N-(4-phenylbutyl)aniline (PubChem CID 114333153) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(4-phenylbutyl)aniline
PubChem CID114333153
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-N-(4-phenylbutyl)aniline
SMILESCCc1cccc(NCCCCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-2-16-12-8-13-18(15-16)19-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15,19H,2,6-7,11,14H2,1H3
InChIKeyORZYKFIVZSGOKV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-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-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
3-ethynyl-N-(4-phenylbutyl)aniline
CID 114333079
CID 58064173
CID 58064173
3-(3-phenylpropylamino)phenol
CID 28722963
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-phenylbutyl)aniline?
The IUPAC name of 3-ethyl-N-(4-phenylbutyl)aniline (CID 114333153) is 3-ethyl-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 3-ethyl-N-(4-phenylbutyl)aniline?
The canonical SMILES for 3-ethyl-N-(4-phenylbutyl)aniline is CCc1cccc(NCCCCc2ccccc2)c1.
What is the InChIKey of 3-ethyl-N-(4-phenylbutyl)aniline?
The InChIKey is ORZYKFIVZSGOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-16-12-8-13-18(15-16)19-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15,19H,2,6-7,11,14H2,1H3.
What are the key properties of 3-ethyl-N-(4-phenylbutyl)aniline?
3-ethyl-N-(4-phenylbutyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).