2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine

C14H23NO3 — CID 112518955

IUPAC2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
SMILESCCC(C)(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-6-14(2,9-15)10-7-12(17-4)13(18-5)8-11(10)16-3/h7-8H,6,9,15H2,1-5H3
InChIKeyQAEFJKZIAIYLCZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.34
Rot. Bonds6

About 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine

2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine (PubChem CID 112518955) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
PubChem CID112518955
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
SMILESCCC(C)(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-6-14(2,9-15)10-7-12(17-4)13(18-5)8-11(10)16-3/h7-8H,6,9,15H2,1-5H3
InChIKeyQAEFJKZIAIYLCZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 83835033
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
CID 168930805
CID 168930805
N-ethyl-2-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 115005597
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 96840579
3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
CID 82306729
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 116925195
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 79830501
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine?
The IUPAC name of 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine (CID 112518955) is 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine is CCC(C)(CN)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine?
The InChIKey is QAEFJKZIAIYLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-14(2,9-15)10-7-12(17-4)13(18-5)8-11(10)16-3/h7-8H,6,9,15H2,1-5H3.
What are the key properties of 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine?
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 112518955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).