3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine

C14H23NO2 — CID 79831012

IUPAC3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO2/c1-14(2,8-9-15-3)12-10-11(16-4)6-7-13(12)17-5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyLYIMYFQVTICASQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.59
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine

3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 79831012) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
PubChem CID79831012
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO2/c1-14(2,8-9-15-3)12-10-11(16-4)6-7-13(12)17-5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyLYIMYFQVTICASQ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243
3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
CID 79829708
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine (CID 79831012) is 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is LYIMYFQVTICASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,8-9-15-3)12-10-11(16-4)6-7-13(12)17-5/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine?
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79831012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).