3-(2-ethoxy-6-methoxyphenyl)butan-1-amine

C13H21NO2 — CID 117320562

IUPAC3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
SMILESCCOc1cccc(OC)c1C(C)CCN
InChIInChI=1S/C13H21NO2/c1-4-16-12-7-5-6-11(15-3)13(12)10(2)8-9-14/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyJXBGEHHPABYVHF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.55
Rot. Bonds6

About 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine

3-(2-ethoxy-6-methoxyphenyl)butan-1-amine (PubChem CID 117320562) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
PubChem CID117320562
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
SMILESCCOc1cccc(OC)c1C(C)CCN
InChIInChI=1S/C13H21NO2/c1-4-16-12-7-5-6-11(15-3)13(12)10(2)8-9-14/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyJXBGEHHPABYVHF-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxy-6-(trifluoromethyl)phenyl]butan-1-amine
CID 117370072
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
3-ethoxy-2-propan-2-ylaniline
CID 154678316
3-(3,6-dimethoxy-2-methylsulfonylphenyl)butan-1-amine
CID 117463938
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine (CID 117320562) is 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine is CCOc1cccc(OC)c1C(C)CCN.
What is the InChIKey of 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine?
The InChIKey is JXBGEHHPABYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-12-7-5-6-11(15-3)13(12)10(2)8-9-14/h5-7,10H,4,8-9,14H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine?
3-(2-ethoxy-6-methoxyphenyl)butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117320562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).