1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine

C14H23NO2 — CID 117347568

IUPAC1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(OC)c(OC)cc1CC(C)(C)N
InChIInChI=1S/C14H23NO2/c1-6-10-7-12(16-4)13(17-5)8-11(10)9-14(2,3)15/h7-8H,6,9,15H2,1-5H3
InChIKeyYBYSCASNSYVGOK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine

1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117347568) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
PubChem CID117347568
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(OC)c(OC)cc1CC(C)(C)N
InChIInChI=1S/C14H23NO2/c1-6-10-7-12(16-4)13(17-5)8-11(10)9-14(2,3)15/h7-8H,6,9,15H2,1-5H3
InChIKeyYBYSCASNSYVGOK-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine (CID 117347568) is 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine is CCc1cc(OC)c(OC)cc1CC(C)(C)N.
What is the InChIKey of 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is YBYSCASNSYVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-10-7-12(16-4)13(17-5)8-11(10)9-14(2,3)15/h7-8H,6,9,15H2,1-5H3.
What are the key properties of 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).