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

C14H23NO — CID 79198122

IUPAC1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13H,9,15H2,1-5H3
InChIKeyJJXJQOFXIBQCLX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.60
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine (PubChem CID 79198122) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
PubChem CID79198122
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13H,9,15H2,1-5H3
InChIKeyJJXJQOFXIBQCLX-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
CID 79197659
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759724
1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027435
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
CID 116719832
1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine (CID 79198122) is 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine?
The InChIKey is JJXJQOFXIBQCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13H,9,15H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine?
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.60, 4 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-3-methylbutan-2-amine is sourced from PubChem (CID 79198122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).