1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine

C18H31N — CID 115832026

IUPAC1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1cccc(C)c1C
InChIInChI=1S/C18H31N/c1-5-7-8-9-10-14-18(19-6-2)17-13-11-12-15(3)16(17)4/h11-13,18-19H,5-10,14H2,1-4H3
InChIKeyUETUFRRDOGNZPN-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.31
Rot. Bonds9

About 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine

1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine (PubChem CID 115832026) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
PubChem CID115832026
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1cccc(C)c1C
InChIInChI=1S/C18H31N/c1-5-7-8-9-10-14-18(19-6-2)17-13-11-12-15(3)16(17)4/h11-13,18-19H,5-10,14H2,1-4H3
InChIKeyUETUFRRDOGNZPN-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.31
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-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine (CID 115832026) is 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine?
The InChIKey is UETUFRRDOGNZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-8-9-10-14-18(19-6-2)17-13-11-12-15(3)16(17)4/h11-13,18-19H,5-10,14H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine?
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine is sourced from PubChem (CID 115832026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).