2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol

C18H29NO2 — CID 116695566

IUPAC2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
SMILESCC(C)C(C)OCCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(2)15(3)21-12-11-18(13-20,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3
InChIKeyAQPODQBRMLYBCY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds9

About 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol

2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol (PubChem CID 116695566) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
PubChem CID116695566
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
SMILESCC(C)C(C)OCCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(2)15(3)21-12-11-18(13-20,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3
InChIKeyAQPODQBRMLYBCY-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64827543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol (CID 116695566) is 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol is CC(C)C(C)OCCC(CO)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol?
The InChIKey is AQPODQBRMLYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)15(3)21-12-11-18(13-20,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol?
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).