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

C15H25NO — CID 105032908

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-7-15(4,5)14(16)12-8-11(3)13(17-6)9-10(12)2/h8-9,14H,7,16H2,1-6H3
InChIKeyROTADWDIJRHYLY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds4

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

1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 105032908) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
PubChem CID105032908
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-7-15(4,5)14(16)12-8-11(3)13(17-6)9-10(12)2/h8-9,14H,7,16H2,1-6H3
InChIKeyROTADWDIJRHYLY-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105032850
2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116757449
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
CID 116752360
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine (CID 105032908) is 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is ROTADWDIJRHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-15(4,5)14(16)12-8-11(3)13(17-6)9-10(12)2/h8-9,14H,7,16H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine?
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105032908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).