4-tert-butyl-N-(4-phenylbutyl)aniline

C20H27N — CID 114333099

IUPAC4-tert-butyl-N-(4-phenylbutyl)aniline
SMILESCC(C)(C)c1ccc(NCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-20(2,3)18-12-14-19(15-13-18)21-16-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15,21H,7-8,11,16H2,1-3H3
InChIKeyRWJZEUCEZJLOAK-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.42
Rot. Bonds6

About 4-tert-butyl-N-(4-phenylbutyl)aniline

4-tert-butyl-N-(4-phenylbutyl)aniline (PubChem CID 114333099) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-phenylbutyl)aniline
PubChem CID114333099
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-tert-butyl-N-(4-phenylbutyl)aniline
SMILESCC(C)(C)c1ccc(NCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-20(2,3)18-12-14-19(15-13-18)21-16-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15,21H,7-8,11,16H2,1-3H3
InChIKeyRWJZEUCEZJLOAK-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-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

4-(10-phenyldecylamino)benzoic acid
CID 13079660
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
4-naphthalen-2-yl-N-(4-phenylbutyl)aniline
CID 58008284
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-phenylbutyl)aniline?
The IUPAC name of 4-tert-butyl-N-(4-phenylbutyl)aniline (CID 114333099) is 4-tert-butyl-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-phenylbutyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(4-phenylbutyl)aniline is CC(C)(C)c1ccc(NCCCCc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-phenylbutyl)aniline?
The InChIKey is RWJZEUCEZJLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-20(2,3)18-12-14-19(15-13-18)21-16-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15,21H,7-8,11,16H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-phenylbutyl)aniline?
4-tert-butyl-N-(4-phenylbutyl)aniline has a molecular weight of 281.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).