N-[3-(4-propylphenyl)propyl]aniline

C18H23N — CID 90752574

IUPACN-[3-(4-propylphenyl)propyl]aniline
SMILESCCCc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-7-16-11-13-17(14-12-16)8-6-15-19-18-9-4-3-5-10-18/h3-5,9-14,19H,2,6-8,15H2,1H3
InChIKeyZAZRAMJZLMVFLB-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.68
Rot. Bonds7

About N-[3-(4-propylphenyl)propyl]aniline

N-[3-(4-propylphenyl)propyl]aniline (PubChem CID 90752574) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3-(4-propylphenyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(4-propylphenyl)propyl]aniline
PubChem CID90752574
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[3-(4-propylphenyl)propyl]aniline
SMILESCCCc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-7-16-11-13-17(14-12-16)8-6-15-19-18-9-4-3-5-10-18/h3-5,9-14,19H,2,6-8,15H2,1H3
InChIKeyZAZRAMJZLMVFLB-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 N-[3-(4-propylphenyl)propyl]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

N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
N-nonadecylaniline
CID 54509054
N-propylaniline
CID 12153
6-(4-propylanilino)hexan-1-ol
CID 103868001
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-heptylaniline;hydrate
CID 174886464
ethane;N-(2-phenylethyl)aniline
CID 91194556
4-(4-propylanilino)butanenitrile
CID 43216271
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propylphenyl)propyl]aniline?
The IUPAC name of N-[3-(4-propylphenyl)propyl]aniline (CID 90752574) is N-[3-(4-propylphenyl)propyl]aniline.
What is the SMILES notation for N-[3-(4-propylphenyl)propyl]aniline?
The canonical SMILES for N-[3-(4-propylphenyl)propyl]aniline is CCCc1ccc(CCCNc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-propylphenyl)propyl]aniline?
The InChIKey is ZAZRAMJZLMVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-7-16-11-13-17(14-12-16)8-6-15-19-18-9-4-3-5-10-18/h3-5,9-14,19H,2,6-8,15H2,1H3.
What are the key properties of N-[3-(4-propylphenyl)propyl]aniline?
N-[3-(4-propylphenyl)propyl]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 N-[3-(4-propylphenyl)propyl]aniline is sourced from PubChem (CID 90752574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).