4-(3,4-diethylphenyl)butan-1-amine

C14H23N — CID 115483378

IUPAC4-(3,4-diethylphenyl)butan-1-amine
SMILESCCc1ccc(CCCCN)cc1CC
InChIInChI=1S/C14H23N/c1-3-13-9-8-12(7-5-6-10-15)11-14(13)4-2/h8-9,11H,3-7,10,15H2,1-2H3
InChIKeyFLNNEQIZSKSPRB-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.09
Rot. Bonds6

About 4-(3,4-diethylphenyl)butan-1-amine

4-(3,4-diethylphenyl)butan-1-amine (PubChem CID 115483378) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(3,4-diethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-diethylphenyl)butan-1-amine
PubChem CID115483378
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-(3,4-diethylphenyl)butan-1-amine
SMILESCCc1ccc(CCCCN)cc1CC
InChIInChI=1S/C14H23N/c1-3-13-9-8-12(7-5-6-10-15)11-14(13)4-2/h8-9,11H,3-7,10,15H2,1-2H3
InChIKeyFLNNEQIZSKSPRB-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.09
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

2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
1,2-diethyl-4-propylbenzene
CID 54363919
2-(2,5-diethylphenyl)ethanamine
CID 117277667
4-(3,4-diethylphenyl)-N-propylbutan-1-amine
CID 115483369
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
6-(4-propylphenyl)hexan-1-amine
CID 65300510
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
4-[[4-[19-[4-[(4-aminophenyl)methyl]-2-ethylphenyl]nonadecyl]-3-ethylphenyl]methyl]aniline
CID 22919524

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethylphenyl)butan-1-amine?
The IUPAC name of 4-(3,4-diethylphenyl)butan-1-amine (CID 115483378) is 4-(3,4-diethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-diethylphenyl)butan-1-amine?
The canonical SMILES for 4-(3,4-diethylphenyl)butan-1-amine is CCc1ccc(CCCCN)cc1CC.
What is the InChIKey of 4-(3,4-diethylphenyl)butan-1-amine?
The InChIKey is FLNNEQIZSKSPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-13-9-8-12(7-5-6-10-15)11-14(13)4-2/h8-9,11H,3-7,10,15H2,1-2H3.
What are the key properties of 4-(3,4-diethylphenyl)butan-1-amine?
4-(3,4-diethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethylphenyl)butan-1-amine is sourced from PubChem (CID 115483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).