4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine

C17H27NO — CID 116870342

IUPAC4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
SMILESCc1ccc(C(C)C)cc1C1(CCC(C)N)COC1
InChIInChI=1S/C17H27NO/c1-12(2)15-6-5-13(3)16(9-15)17(10-19-11-17)8-7-14(4)18/h5-6,9,12,14H,7-8,10-11,18H2,1-4H3
InChIKeyJXFPIVWYIRFARD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds5

About 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine

4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine (PubChem CID 116870342) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
PubChem CID116870342
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
SMILESCc1ccc(C(C)C)cc1C1(CCC(C)N)COC1
InChIInChI=1S/C17H27NO/c1-12(2)15-6-5-13(3)16(9-15)17(10-19-11-17)8-7-14(4)18/h5-6,9,12,14H,7-8,10-11,18H2,1-4H3
InChIKeyJXFPIVWYIRFARD-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-5-propan-2-ylphenyl)oxetane-3-carbaldehyde
CID 116872373
[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930532
3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol
CID 176665443
3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
CID 116871414
2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
CID 176665939
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine?
The IUPAC name of 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine (CID 116870342) is 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine?
The canonical SMILES for 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine is Cc1ccc(C(C)C)cc1C1(CCC(C)N)COC1.
What is the InChIKey of 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine?
The InChIKey is JXFPIVWYIRFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-6-5-13(3)16(9-15)17(10-19-11-17)8-7-14(4)18/h5-6,9,12,14H,7-8,10-11,18H2,1-4H3.
What are the key properties of 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine?
4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine is sourced from PubChem (CID 116870342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).