1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine

C15H25NO — CID 116914596

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(C)N(C)C
InChIInChI=1S/C15H25NO/c1-11(16(5)6)13-10-12(15(2,3)4)8-9-14(13)17-7/h8-11H,1-7H3
InChIKeyYQUMQCUNVYSJBL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine

1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 116914596) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID116914596
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(C)N(C)C
InChIInChI=1S/C15H25NO/c1-11(16(5)6)13-10-12(15(2,3)4)8-9-14(13)17-7/h8-11H,1-7H3
InChIKeyYQUMQCUNVYSJBL-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-(5-tert-butyl-2-methoxyphenyl)propanenitrile
CID 82079061
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112510982
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol
CID 82215489
1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylethanamine
CID 166092394

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine (CID 116914596) is 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine is COc1ccc(C(C)(C)C)cc1C(C)N(C)C.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is YQUMQCUNVYSJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(16(5)6)13-10-12(15(2,3)4)8-9-14(13)17-7/h8-11H,1-7H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine?
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).