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

C13H21NO2 — CID 64541774

IUPAC3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
SMILESCCOC(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-16-10(2)13(14)9-11-6-5-7-12(8-11)15-3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyUONSGZORAHXALL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds6

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

3-ethoxy-1-(3-methoxyphenyl)butan-2-amine (PubChem CID 64541774) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
PubChem CID64541774
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
SMILESCCOC(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-16-10(2)13(14)9-11-6-5-7-12(8-11)15-3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyUONSGZORAHXALL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(3-methoxyphenyl)-3-methylsulfonylbutan-2-amine
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4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-chloro-2-(3-methoxyphenyl)ethanamine
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1-(3-bromo-4-methoxyphenyl)-3-ethoxybutan-2-amine
CID 64542009
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
CID 12516811
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine (CID 64541774) is 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine is CCOC(C)C(N)Cc1cccc(OC)c1.
What is the InChIKey of 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine?
The InChIKey is UONSGZORAHXALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-10(2)13(14)9-11-6-5-7-12(8-11)15-3/h5-8,10,13H,4,9,14H2,1-3H3.
What are the key properties of 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine?
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 64541774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).