3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine

C15H25NO — CID 79197659

IUPAC3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)17-5/h6-9,11,14H,10,16H2,1-5H3
InChIKeyAMSLWHPVILXKGR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.10
Rot. Bonds5

About 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine

3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine (PubChem CID 79197659) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
PubChem CID79197659
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)17-5/h6-9,11,14H,10,16H2,1-5H3
InChIKeyAMSLWHPVILXKGR-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
CID 71733772
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
CID 116757360
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
[1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 103375631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine (CID 79197659) is 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine is COC(C)(C)C(N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine?
The InChIKey is AMSLWHPVILXKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)17-5/h6-9,11,14H,10,16H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine?
3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 79197659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).