1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine

C16H27NO — CID 82297222

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1c(C)cc(C(N)CC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H27NO/c1-10-8-13(14(17)9-16(4,5)6)11(2)12(3)15(10)18-7/h8,14H,9,17H2,1-7H3
InChIKeyIERJLZPJEIBXDC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine

1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 82297222) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID82297222
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1c(C)cc(C(N)CC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H27NO/c1-10-8-13(14(17)9-16(4,5)6)11(2)12(3)15(10)18-7/h8,14H,9,17H2,1-7H3
InChIKeyIERJLZPJEIBXDC-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine (CID 82297222) is 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine is COc1c(C)cc(C(N)CC(C)(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is IERJLZPJEIBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-10-8-13(14(17)9-16(4,5)6)11(2)12(3)15(10)18-7/h8,14H,9,17H2,1-7H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine?
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 82297222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).