1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine

C14H23NO3 — CID 117386556

IUPAC1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cc(CC(C)(C)N)cc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-14(2,15)8-10-6-11(9-16-3)13(18-5)12(7-10)17-4/h6-7H,8-9,15H2,1-5H3
InChIKeyMZPUPOUHQVITBC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds6

About 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine

1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117386556) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117386556
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cc(CC(C)(C)N)cc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-14(2,15)8-10-6-11(9-16-3)13(18-5)12(7-10)17-4/h6-7H,8-9,15H2,1-5H3
InChIKeyMZPUPOUHQVITBC-UHFFFAOYSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117453769
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117391659
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine (CID 117386556) is 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine is COCc1cc(CC(C)(C)N)cc(OC)c1OC.
What is the InChIKey of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is MZPUPOUHQVITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,15)8-10-6-11(9-16-3)13(18-5)12(7-10)17-4/h6-7H,8-9,15H2,1-5H3.
What are the key properties of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117386556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).