1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine

C16H27N — CID 62538478

IUPAC1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
SMILESCCCCC(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C16H27N/c1-5-7-8-16(17-6-2)12-15-10-9-13(3)14(4)11-15/h9-11,16-17H,5-8,12H2,1-4H3
InChIKeyVGHINIWFALQNCO-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.01
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine

1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine (PubChem CID 62538478) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
PubChem CID62538478
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
SMILESCCCCC(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C16H27N/c1-5-7-8-16(17-6-2)12-15-10-9-13(3)14(4)11-15/h9-11,16-17H,5-8,12H2,1-4H3
InChIKeyVGHINIWFALQNCO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine (CID 62538478) is 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine is CCCCC(Cc1ccc(C)c(C)c1)NCC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine?
The InChIKey is VGHINIWFALQNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-16(17-6-2)12-15-10-9-13(3)14(4)11-15/h9-11,16-17H,5-8,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine?
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine is sourced from PubChem (CID 62538478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).