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

C19H33N — CID 114752651

IUPAC1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H33N/c1-5-9-10-11-12-19(20-8-4)18-14-13-16(6-2)17(7-3)15-18/h13-15,19-20H,5-12H2,1-4H3
InChIKeyLQDSDKKMDBUWSI-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.43
Rot. Bonds10

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

1-(3,4-diethylphenyl)-N-ethylheptan-1-amine (PubChem CID 114752651) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
PubChem CID114752651
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H33N/c1-5-9-10-11-12-19(20-8-4)18-14-13-16(6-2)17(7-3)15-18/h13-15,19-20H,5-12H2,1-4H3
InChIKeyLQDSDKKMDBUWSI-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.43
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

1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(3,4-diethylphenyl)hexan-1-amine
CID 113319060
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
4-(1-chlorohexyl)-1,2-diethylbenzene
CID 115482830
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
CID 105126485

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine (CID 114752651) is 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1ccc(CC)c(CC)c1.
What is the InChIKey of 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine?
The InChIKey is LQDSDKKMDBUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-9-10-11-12-19(20-8-4)18-14-13-16(6-2)17(7-3)15-18/h13-15,19-20H,5-12H2,1-4H3.
What are the key properties of 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine?
1-(3,4-diethylphenyl)-N-ethylheptan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N-ethylheptan-1-amine is sourced from PubChem (CID 114752651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).