1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine

C18H31N — CID 83160928

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H31N/c1-6-19-18(9-7-8-14(2)3)13-17-11-10-15(4)16(5)12-17/h10-12,14,18-19H,6-9,13H2,1-5H3
InChIKeyBFDMJCQFKVXQPU-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.65
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine

1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine (PubChem CID 83160928) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
PubChem CID83160928
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H31N/c1-6-19-18(9-7-8-14(2)3)13-17-11-10-15(4)16(5)12-17/h10-12,14,18-19H,6-9,13H2,1-5H3
InChIKeyBFDMJCQFKVXQPU-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
N-ethyl-5-methyl-1-naphthalen-2-ylhexan-2-amine
CID 63527714
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine (CID 83160928) is 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine is CCNC(CCCC(C)C)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine?
The InChIKey is BFDMJCQFKVXQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-19-18(9-7-8-14(2)3)13-17-11-10-15(4)16(5)12-17/h10-12,14,18-19H,6-9,13H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine?
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.65, 8 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-ethyl-6-methylheptan-2-amine is sourced from PubChem (CID 83160928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).