3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine

C16H27NO — CID 116721266

IUPAC3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
SMILESCCOC(C(C)C)C(Cc1ccccc1C)NC
InChIInChI=1S/C16H27NO/c1-6-18-16(12(2)3)15(17-5)11-14-10-8-7-9-13(14)4/h7-10,12,15-17H,6,11H2,1-5H3
InChIKeyAKPDXGFZUWGHIA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds7

About 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine

3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine (PubChem CID 116721266) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
PubChem CID116721266
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
SMILESCCOC(C(C)C)C(Cc1ccccc1C)NC
InChIInChI=1S/C16H27NO/c1-6-18-16(12(2)3)15(17-5)11-14-10-8-7-9-13(14)4/h7-10,12,15-17H,6,11H2,1-5H3
InChIKeyAKPDXGFZUWGHIA-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721185
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
3-ethoxy-N,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116721300
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine?
The IUPAC name of 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine (CID 116721266) is 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine is CCOC(C(C)C)C(Cc1ccccc1C)NC.
What is the InChIKey of 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine?
The InChIKey is AKPDXGFZUWGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-18-16(12(2)3)15(17-5)11-14-10-8-7-9-13(14)4/h7-10,12,15-17H,6,11H2,1-5H3.
What are the key properties of 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine?
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).