2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine

C14H23NO — CID 116964709

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H23NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h7-8,12,15H,6,9H2,1-5H3
InChIKeyAXCTWBOZQVBXDY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine

2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 116964709) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID116964709
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H23NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h7-8,12,15H,6,9H2,1-5H3
InChIKeyAXCTWBOZQVBXDY-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 116835544
1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine (CID 116964709) is 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine is CCC(CNC)c1ccc(OC)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is AXCTWBOZQVBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h7-8,12,15H,6,9H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine?
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116964709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).