1-(2,3-diethylphenyl)tetradecan-1-amine

C24H43N — CID 22761428

IUPAC1-(2,3-diethylphenyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCC(N)c1cccc(CC)c1CC
InChIInChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-20-24(25)23-19-17-18-21(5-2)22(23)6-3/h17-19,24H,4-16,20,25H2,1-3H3
InChIKeyQAPMCELIJUPSMD-UHFFFAOYSA-N
MW345.62 g/mol
LogP7.51
Rot. Bonds15

About 1-(2,3-diethylphenyl)tetradecan-1-amine

1-(2,3-diethylphenyl)tetradecan-1-amine (PubChem CID 22761428) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)tetradecan-1-amine.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)tetradecan-1-amine
PubChem CID22761428
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name1-(2,3-diethylphenyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCC(N)c1cccc(CC)c1CC
InChIInChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-20-24(25)23-19-17-18-21(5-2)22(23)6-3/h17-19,24H,4-16,20,25H2,1-3H3
InChIKeyQAPMCELIJUPSMD-UHFFFAOYSA-N
XLogP7.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.51
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-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
CID 173450788
1-(2,3-dipropylphenyl)tetradecan-1-amine
CID 21316150
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-(2,3-diethylphenyl)ethanamine
CID 130066606
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylphenyl)tetradecan-1-amine?
The IUPAC name of 1-(2,3-diethylphenyl)tetradecan-1-amine (CID 22761428) is 1-(2,3-diethylphenyl)tetradecan-1-amine.
What is the SMILES notation for 1-(2,3-diethylphenyl)tetradecan-1-amine?
The canonical SMILES for 1-(2,3-diethylphenyl)tetradecan-1-amine is CCCCCCCCCCCCCC(N)c1cccc(CC)c1CC.
What is the InChIKey of 1-(2,3-diethylphenyl)tetradecan-1-amine?
The InChIKey is QAPMCELIJUPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-20-24(25)23-19-17-18-21(5-2)22(23)6-3/h17-19,24H,4-16,20,25H2,1-3H3.
What are the key properties of 1-(2,3-diethylphenyl)tetradecan-1-amine?
1-(2,3-diethylphenyl)tetradecan-1-amine has a molecular weight of 345.62 g/mol, XLogP of 7.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylphenyl)tetradecan-1-amine is sourced from PubChem (CID 22761428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).