1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine

C15H25NO — CID 82262287

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO/c1-11(16-5)9-12-10-13(15(2,3)4)7-8-14(12)17-6/h7-8,10-11,16H,9H2,1-6H3
InChIKeyUWFDUGBKRVSXGA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine

1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 82262287) 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-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID82262287
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO/c1-11(16-5)9-12-10-13(15(2,3)4)7-8-14(12)17-6/h7-8,10-11,16H,9H2,1-6H3
InChIKeyUWFDUGBKRVSXGA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
methyl 4-(5-tert-butyl-2-methoxyphenyl)-3-chlorobutanoate
CID 82352079
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine (CID 82262287) is 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine is CNC(C)Cc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is UWFDUGBKRVSXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(16-5)9-12-10-13(15(2,3)4)7-8-14(12)17-6/h7-8,10-11,16H,9H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine?
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 82262287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).