2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

C15H25N — CID 62595719

IUPAC2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3
InChIKeyFHJJPECCZMYODE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 62595719) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID62595719
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3
InChIKeyFHJJPECCZMYODE-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63509074
2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519809
2-ethyl-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 62596055

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (CID 62595719) is 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is FHJJPECCZMYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-15(7-2,11-16-5)14-9-12(3)8-13(4)10-14/h8-10,16H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 62595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).