1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine

C13H21NO — CID 43626227

IUPAC1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO/c1-5-6-12(14-3)11-9-10(2)7-8-13(11)15-4/h7-9,12,14H,5-6H2,1-4H3
InChIKeyYLVJZJKEYINYBY-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine

1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine (PubChem CID 43626227) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
PubChem CID43626227
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO/c1-5-6-12(14-3)11-9-10(2)7-8-13(11)15-4/h7-9,12,14H,5-6H2,1-4H3
InChIKeyYLVJZJKEYINYBY-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine (CID 43626227) is 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine is CCCC(NC)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is YLVJZJKEYINYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-12(14-3)11-9-10(2)7-8-13(11)15-4/h7-9,12,14H,5-6H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine?
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 43626227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).