3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol

C16H23NO2 — CID 64809912

IUPAC3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(COC1CCC1)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c18-11-16(17-14-9-10-14,12-19-15-7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2
InChIKeyCQWOPKUPIOVDAM-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.20
Rot. Bonds7

About 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol

3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol (PubChem CID 64809912) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
PubChem CID64809912
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(COC1CCC1)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c18-11-16(17-14-9-10-14,12-19-15-7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2
InChIKeyCQWOPKUPIOVDAM-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 114342759
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol (CID 64809912) is 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol is OCC(COC1CCC1)(NC1CC1)c1ccccc1.
What is the InChIKey of 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The InChIKey is CQWOPKUPIOVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-11-16(17-14-9-10-14,12-19-15-7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2.
What are the key properties of 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol?
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64809912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).