1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine

C16H27N — CID 114027005

IUPAC1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1c(C)cccc1C
InChIInChI=1S/C16H27N/c1-5-7-8-12-15(17-6-2)16-13(3)10-9-11-14(16)4/h9-11,15,17H,5-8,12H2,1-4H3
InChIKeyGOGLHSAXNMGKMJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.53
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine

1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine (PubChem CID 114027005) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
PubChem CID114027005
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1c(C)cccc1C
InChIInChI=1S/C16H27N/c1-5-7-8-12-15(17-6-2)16-13(3)10-9-11-14(16)4/h9-11,15,17H,5-8,12H2,1-4H3
InChIKeyGOGLHSAXNMGKMJ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.53
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

N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1,3-dimethyl-2-octan-3-ylbenzene
CID 144744268
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine (CID 114027005) is 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine?
The InChIKey is GOGLHSAXNMGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-12-15(17-6-2)16-13(3)10-9-11-14(16)4/h9-11,15,17H,5-8,12H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine?
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 114027005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).