2-methoxy-4-(3-methoxyphenyl)butan-1-amine

C12H19NO2 — CID 105463202

IUPAC2-methoxy-4-(3-methoxyphenyl)butan-1-amine
SMILESCOc1cccc(CCC(CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-14-11-5-3-4-10(8-11)6-7-12(9-13)15-2/h3-5,8,12H,6-7,9,13H2,1-2H3
InChIKeyQLPDNPHGUYTDSZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds6

About 2-methoxy-4-(3-methoxyphenyl)butan-1-amine

2-methoxy-4-(3-methoxyphenyl)butan-1-amine (PubChem CID 105463202) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-4-(3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(3-methoxyphenyl)butan-1-amine
PubChem CID105463202
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-4-(3-methoxyphenyl)butan-1-amine
SMILESCOc1cccc(CCC(CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-14-11-5-3-4-10(8-11)6-7-12(9-13)15-2/h3-5,8,12H,6-7,9,13H2,1-2H3
InChIKeyQLPDNPHGUYTDSZ-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64664101
1-methoxy-3-(2-methoxyhexyl)benzene
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3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
(3S,5R)-3-(aminomethyl)-7-(3-methoxyphenyl)-5-methylheptanoic acid
CID 53241285
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
CID 101485664
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methoxyphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(3-methoxyphenyl)butan-1-amine (CID 105463202) is 2-methoxy-4-(3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(3-methoxyphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(3-methoxyphenyl)butan-1-amine is COc1cccc(CCC(CN)OC)c1.
What is the InChIKey of 2-methoxy-4-(3-methoxyphenyl)butan-1-amine?
The InChIKey is QLPDNPHGUYTDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-11-5-3-4-10(8-11)6-7-12(9-13)15-2/h3-5,8,12H,6-7,9,13H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methoxyphenyl)butan-1-amine?
2-methoxy-4-(3-methoxyphenyl)butan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 105463202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).