4-(3,4-diethylphenyl)-N-propylbutan-1-amine

C17H29N — CID 115483369

IUPAC4-(3,4-diethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C17H29N/c1-4-12-18-13-8-7-9-15-10-11-16(5-2)17(6-3)14-15/h10-11,14,18H,4-9,12-13H2,1-3H3
InChIKeyKNKCCFUJLMZNFE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.13
Rot. Bonds9

About 4-(3,4-diethylphenyl)-N-propylbutan-1-amine

4-(3,4-diethylphenyl)-N-propylbutan-1-amine (PubChem CID 115483369) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(3,4-diethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-diethylphenyl)-N-propylbutan-1-amine
PubChem CID115483369
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(3,4-diethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C17H29N/c1-4-12-18-13-8-7-9-15-10-11-16(5-2)17(6-3)14-15/h10-11,14,18H,4-9,12-13H2,1-3H3
InChIKeyKNKCCFUJLMZNFE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
1,2-diethyl-4-propylbenzene
CID 54363919
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
5-phenyl-N-propylpentan-1-amine
CID 62530615
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-(3,4-diethylphenyl)-N-propylbutan-1-amine (CID 115483369) is 4-(3,4-diethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3,4-diethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(3,4-diethylphenyl)-N-propylbutan-1-amine is CCCNCCCCc1ccc(CC)c(CC)c1.
What is the InChIKey of 4-(3,4-diethylphenyl)-N-propylbutan-1-amine?
The InChIKey is KNKCCFUJLMZNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-12-18-13-8-7-9-15-10-11-16(5-2)17(6-3)14-15/h10-11,14,18H,4-9,12-13H2,1-3H3.
What are the key properties of 4-(3,4-diethylphenyl)-N-propylbutan-1-amine?
4-(3,4-diethylphenyl)-N-propylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 115483369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).