2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine

C13H21NO — CID 82077546

IUPAC2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
SMILESCCC(CN)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H21NO/c1-5-11(8-14)12-6-10(3)13(15-4)7-9(12)2/h6-7,11H,5,8,14H2,1-4H3
InChIKeyZQLBYZXCOGWFGG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine

2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine (PubChem CID 82077546) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
PubChem CID82077546
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
SMILESCCC(CN)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H21NO/c1-5-11(8-14)12-6-10(3)13(15-4)7-9(12)2/h6-7,11H,5,8,14H2,1-4H3
InChIKeyZQLBYZXCOGWFGG-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628
6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
CID 83927787
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]-2H-triazole
CID 112717954
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine (CID 82077546) is 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine is CCC(CN)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The InChIKey is ZQLBYZXCOGWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(8-14)12-6-10(3)13(15-4)7-9(12)2/h6-7,11H,5,8,14H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 82077546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).