2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine

C15H25NO — CID 82291393

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(C(C)C)cc1C(C)(N)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)12-7-8-14(17-6)13(9-12)15(5,16)11(3)4/h7-11H,16H2,1-6H3
InChIKeyDNSXIEUXDXKGNG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine

2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine (PubChem CID 82291393) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
PubChem CID82291393
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(C(C)C)cc1C(C)(N)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)12-7-8-14(17-6)13(9-12)15(5,16)11(3)4/h7-11H,16H2,1-6H3
InChIKeyDNSXIEUXDXKGNG-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82117037
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine (CID 82291393) is 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine is COc1ccc(C(C)C)cc1C(C)(N)C(C)C.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine?
The InChIKey is DNSXIEUXDXKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)12-7-8-14(17-6)13(9-12)15(5,16)11(3)4/h7-11H,16H2,1-6H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine?
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 82291393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).