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

C14H23NO — CID 103433382

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-6-7-13(15-4)12-9-8-10(2)11(3)14(12)16-5/h8-9,13,15H,6-7H2,1-5H3
InChIKeyRRLJDCHYQBRVFZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds5

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

1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 103433382) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID103433382
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H23NO/c1-6-7-13(15-4)12-9-8-10(2)11(3)14(12)16-5/h8-9,13,15H,6-7H2,1-5H3
InChIKeyRRLJDCHYQBRVFZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103434677
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
N,N-diethyl-3-hydrazinyl-3-(2-methoxy-3,4-dimethylphenyl)propan-1-amine
CID 103436034
N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
CID 103433692
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (CID 103433382) is 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is RRLJDCHYQBRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-7-13(15-4)12-9-8-10(2)11(3)14(12)16-5/h8-9,13,15H,6-7H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 103433382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).