4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine

C14H23NO2 — CID 113473039

IUPAC4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(10-16-2)13(9-15)7-12-5-4-6-14(8-12)17-3/h4-6,8,11,13H,7,9-10,15H2,1-3H3
InChIKeyVXMLJQAMLHSIKJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.10
Rot. Bonds7

About 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine

4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 113473039) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine
PubChem CID113473039
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(10-16-2)13(9-15)7-12-5-4-6-14(8-12)17-3/h4-6,8,11,13H,7,9-10,15H2,1-3H3
InChIKeyVXMLJQAMLHSIKJ-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
1-[2-(chloromethyl)-3-methoxypropyl]-3-methoxybenzene
CID 103985127
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine (CID 113473039) is 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine is COCC(C)C(CN)Cc1cccc(OC)c1.
What is the InChIKey of 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is VXMLJQAMLHSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(10-16-2)13(9-15)7-12-5-4-6-14(8-12)17-3/h4-6,8,11,13H,7,9-10,15H2,1-3H3.
What are the key properties of 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine?
4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methoxyphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 113473039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).