1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine

C13H21NO — CID 82255191

IUPAC1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C13H21NO/c1-5-11(14)8-13-9(2)6-12(15-4)7-10(13)3/h6-7,11H,5,8,14H2,1-4H3
InChIKeyVMLAMOYMLKQKCV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine

1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine (PubChem CID 82255191) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
PubChem CID82255191
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C13H21NO/c1-5-11(14)8-13-9(2)6-12(15-4)7-10(13)3/h6-7,11H,5,8,14H2,1-4H3
InChIKeyVMLAMOYMLKQKCV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride
CID 170889525
2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
CID 82255002
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
CID 170890133
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
4-(4-methoxy-2,6-dimethylphenyl)butanenitrile
CID 83940113
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
3-(butan-2-ylamino)-4-(4-methoxy-2,6-dimethylphenyl)butanoic acid
CID 82350952
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
4-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940100

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine (CID 82255191) is 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine is CCC(N)Cc1c(C)cc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine?
The InChIKey is VMLAMOYMLKQKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(14)8-13-9(2)6-12(15-4)7-10(13)3/h6-7,11H,5,8,14H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine?
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 82255191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).