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

C18H31N — CID 63420104

IUPAC1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C18H31N/c1-5-7-8-9-10-18(19-6-2)14-17-12-11-15(3)16(4)13-17/h11-13,18-19H,5-10,14H2,1-4H3
InChIKeyVYACXBJZWPAOPB-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.79
Rot. Bonds9

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

1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine (PubChem CID 63420104) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
PubChem CID63420104
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C18H31N/c1-5-7-8-9-10-18(19-6-2)14-17-12-11-15(3)16(4)13-17/h11-13,18-19H,5-10,14H2,1-4H3
InChIKeyVYACXBJZWPAOPB-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.79
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-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine (CID 63420104) is 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine is CCCCCCC(Cc1ccc(C)c(C)c1)NCC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine?
The InChIKey is VYACXBJZWPAOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-8-9-10-18(19-6-2)14-17-12-11-15(3)16(4)13-17/h11-13,18-19H,5-10,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine?
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.79, 9 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-ethyloctan-2-amine is sourced from PubChem (CID 63420104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).