1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine

C14H23NO — CID 170890416

IUPAC1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
SMILESCCOc1cc(C)c(C)cc1CC(N)CC
InChIInChI=1S/C14H23NO/c1-5-13(15)9-12-7-10(3)11(4)8-14(12)16-6-2/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyVAPAPKUNOQJZQM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine

1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine (PubChem CID 170890416) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
PubChem CID170890416
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
SMILESCCOc1cc(C)c(C)cc1CC(N)CC
InChIInChI=1S/C14H23NO/c1-5-13(15)9-12-7-10(3)11(4)8-14(12)16-6-2/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyVAPAPKUNOQJZQM-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
CID 176553691
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[4-(1,1-difluoroethyl)-5-ethoxy-2-methoxyphenyl]butan-2-amine
CID 167243727
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine?
The IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine (CID 170890416) is 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine is CCOc1cc(C)c(C)cc1CC(N)CC.
What is the InChIKey of 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine?
The InChIKey is VAPAPKUNOQJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(15)9-12-7-10(3)11(4)8-14(12)16-6-2/h7-8,13H,5-6,9,15H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine?
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 170890416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).