1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine

C13H21NO — CID 117296824

IUPAC1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cccc(CC(C)N)c1C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13-11(8-10(3)14)6-5-7-12(13)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyZVOXJYCAQFOKIA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine

1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine (PubChem CID 117296824) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
PubChem CID117296824
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cccc(CC(C)N)c1C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13-11(8-10(3)14)6-5-7-12(13)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyZVOXJYCAQFOKIA-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine (CID 117296824) is 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine is COc1cccc(CC(C)N)c1C(C)C.
What is the InChIKey of 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine?
The InChIKey is ZVOXJYCAQFOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13-11(8-10(3)14)6-5-7-12(13)15-4/h5-7,9-10H,8,14H2,1-4H3.
What are the key properties of 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine?
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117296824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).