3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol

C18H26N2O — CID 64827543

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(CN1CC2CCC1C2)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16,15-4-2-1-3-5-15)12-20-11-14-6-9-17(20)10-14/h1-5,14,16-17,19,21H,6-13H2
InChIKeyHNSHBNOLHPRXOV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.11
Rot. Bonds6

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol

3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol (PubChem CID 64827543) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
PubChem CID64827543
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(CN1CC2CCC1C2)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16,15-4-2-1-3-5-15)12-20-11-14-6-9-17(20)10-14/h1-5,14,16-17,19,21H,6-13H2
InChIKeyHNSHBNOLHPRXOV-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
1-[4-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]cyclohexyl]-3-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 51023472
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692504
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol (CID 64827543) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol is OCC(CN1CC2CCC1C2)(NC1CC1)c1ccccc1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The InChIKey is HNSHBNOLHPRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16,15-4-2-1-3-5-15)12-20-11-14-6-9-17(20)10-14/h1-5,14,16-17,19,21H,6-13H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).