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

C14H23NO — CID 103434677

IUPAC3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-10-6-7-13(11(2)8-9-15-4)14(16-5)12(10)3/h6-7,11,15H,8-9H2,1-5H3
InChIKeyXPOZZSPDECZELD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.03
Rot. Bonds5

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

3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 103434677) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID103434677
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-10-6-7-13(11(2)8-9-15-4)14(16-5)12(10)3/h6-7,11,15H,8-9H2,1-5H3
InChIKeyXPOZZSPDECZELD-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

1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
(4S)-4-(2,3-dimethoxy-4-methylphenyl)pentanal
CID 10847418
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (CID 103434677) is 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is CNCCC(C)c1ccc(C)c(C)c1OC.
What is the InChIKey of 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is XPOZZSPDECZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-7-13(11(2)8-9-15-4)14(16-5)12(10)3/h6-7,11,15H,8-9H2,1-5H3.
What are the key properties of 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
3-(2-methoxy-3,4-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 3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 103434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).