1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine

C15H25NO — CID 116719832

IUPAC1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
SMILESCOC(C(C)C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10(2)15(17-5)14(16)9-13-7-6-11(3)12(4)8-13/h6-8,10,14-15H,9,16H2,1-5H3
InChIKeyJGWULAMWGCHGQO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.84
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine (PubChem CID 116719832) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
PubChem CID116719832
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
SMILESCOC(C(C)C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10(2)15(17-5)14(16)9-13-7-6-11(3)12(4)8-13/h6-8,10,14-15H,9,16H2,1-5H3
InChIKeyJGWULAMWGCHGQO-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
2-[(3,4-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931638
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
2-[(3,4-dimethylphenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973412
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine (CID 116719832) is 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine is COC(C(C)C)C(N)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine?
The InChIKey is JGWULAMWGCHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)15(17-5)14(16)9-13-7-6-11(3)12(4)8-13/h6-8,10,14-15H,9,16H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine?
1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116719832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).