3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine

C13H21NO — CID 82077547

IUPAC3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
SMILESCOc1cc(C)c(C(C)CCN)cc1C
InChIInChI=1S/C13H21NO/c1-9(5-6-14)12-7-11(3)13(15-4)8-10(12)2/h7-9H,5-6,14H2,1-4H3
InChIKeyHXOHPZOCEFIIPZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine

3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine (PubChem CID 82077547) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
PubChem CID82077547
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
SMILESCOc1cc(C)c(C(C)CCN)cc1C
InChIInChI=1S/C13H21NO/c1-9(5-6-14)12-7-11(3)13(15-4)8-10(12)2/h7-9H,5-6,14H2,1-4H3
InChIKeyHXOHPZOCEFIIPZ-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-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine (CID 82077547) is 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine is COc1cc(C)c(C(C)CCN)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
The InChIKey is HXOHPZOCEFIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(5-6-14)12-7-11(3)13(15-4)8-10(12)2/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine?
3-(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 3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 82077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).