3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine

C17H27NO — CID 116870189

IUPAC3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
SMILESCC(C)Cc1ccc(C2(C(C)CCN)COC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)10-15-4-6-16(7-5-15)17(11-19-12-17)14(3)8-9-18/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyHBTHRSLBGVQPOG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.14
Rot. Bonds6

About 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine

3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine (PubChem CID 116870189) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine.

Molecular Properties

Compound Name3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
PubChem CID116870189
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
SMILESCC(C)Cc1ccc(C2(C(C)CCN)COC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)10-15-4-6-16(7-5-15)17(11-19-12-17)14(3)8-9-18/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyHBTHRSLBGVQPOG-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine
CID 116870219
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874884
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
CID 116872106
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane
CID 177016972
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine?
The IUPAC name of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine (CID 116870189) is 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine.
What is the SMILES notation for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine?
The canonical SMILES for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine is CC(C)Cc1ccc(C2(C(C)CCN)COC2)cc1.
What is the InChIKey of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine?
The InChIKey is HBTHRSLBGVQPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)10-15-4-6-16(7-5-15)17(11-19-12-17)14(3)8-9-18/h4-7,13-14H,8-12,18H2,1-3H3.
What are the key properties of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine?
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine is sourced from PubChem (CID 116870189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).