1-(2-propan-2-yloxyphenyl)azetidin-3-amine

C12H18N2O — CID 117002832

IUPAC1-(2-propan-2-yloxyphenyl)azetidin-3-amine
SMILESCC(C)Oc1ccccc1N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeyZQGULMOEYUGHGQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds3

About 1-(2-propan-2-yloxyphenyl)azetidin-3-amine

1-(2-propan-2-yloxyphenyl)azetidin-3-amine (PubChem CID 117002832) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)azetidin-3-amine
PubChem CID117002832
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-propan-2-yloxyphenyl)azetidin-3-amine
SMILESCC(C)Oc1ccccc1N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeyZQGULMOEYUGHGQ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-amine
CID 43315583
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
CID 104957818
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
CID 117007629
N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
CID 117026970
3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 115004150
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)azetidin-3-amine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)azetidin-3-amine (CID 117002832) is 1-(2-propan-2-yloxyphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)azetidin-3-amine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)azetidin-3-amine is CC(C)Oc1ccccc1N1CC(N)C1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)azetidin-3-amine?
The InChIKey is ZQGULMOEYUGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h3-6,9-10H,7-8,13H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)azetidin-3-amine?
1-(2-propan-2-yloxyphenyl)azetidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)azetidin-3-amine is sourced from PubChem (CID 117002832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).