2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

C16H27NO2 — CID 116724260

IUPAC2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCOC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)19-13-9-7-8-12(10-13)14(17)15(18-6)16(3,4)5/h7-11,14-15H,17H2,1-6H3
InChIKeyMCAIWEYBBDWARJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.53
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116724260) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116724260
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCOC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)19-13-9-7-8-12(10-13)14(17)15(18-6)16(3,4)5/h7-11,14-15H,17H2,1-6H3
InChIKeyMCAIWEYBBDWARJ-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
methyl 2-[hydroxy-(3-propan-2-yloxyphenyl)methyl]-3-methylbutanoate
CID 62396964
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
CID 117052163
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (CID 116724260) is 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is COC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is MCAIWEYBBDWARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)19-13-9-7-8-12(10-13)14(17)15(18-6)16(3,4)5/h7-11,14-15H,17H2,1-6H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).