3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine

C13H21NO — CID 82266889

IUPAC3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine
SMILESCCOc1c(C)ccc(C)c1CCCN
InChIInChI=1S/C13H21NO/c1-4-15-13-11(3)8-7-10(2)12(13)6-5-9-14/h7-8H,4-6,9,14H2,1-3H3
InChIKeyKZHJYOKEXOPJGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds5

About 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine

3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine (PubChem CID 82266889) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine
PubChem CID82266889
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine
SMILESCCOc1c(C)ccc(C)c1CCCN
InChIInChI=1S/C13H21NO/c1-4-15-13-11(3)8-7-10(2)12(13)6-5-9-14/h7-8H,4-6,9,14H2,1-3H3
InChIKeyKZHJYOKEXOPJGO-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805
3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82266848
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
2-(3-aminopropyl)-3,5,6-triethoxyterephthalic acid
CID 172709282
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 55266988
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
CID 83886567
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
2-ethoxy-4-methyl-3-prop-2-enylaniline
CID 20792230

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine (CID 82266889) is 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine is CCOc1c(C)ccc(C)c1CCCN.
What is the InChIKey of 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine?
The InChIKey is KZHJYOKEXOPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-13-11(3)8-7-10(2)12(13)6-5-9-14/h7-8H,4-6,9,14H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine?
3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 82266889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).