2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol

C18H30N2O — CID 116695088

IUPAC2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
SMILESCC(C)CN(C)CCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)13-20(3)12-11-18(14-21,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,15,17,19,21H,9-14H2,1-3H3
InChIKeyZJUOAYOBXNCFCX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds9

About 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol

2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol (PubChem CID 116695088) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
PubChem CID116695088
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
SMILESCC(C)CN(C)CCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)13-20(3)12-11-18(14-21,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,15,17,19,21H,9-14H2,1-3H3
InChIKeyZJUOAYOBXNCFCX-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64827543
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol (CID 116695088) is 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol is CC(C)CN(C)CCC(CO)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol?
The InChIKey is ZJUOAYOBXNCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)13-20(3)12-11-18(14-21,19-17-9-10-17)16-7-5-4-6-8-16/h4-8,15,17,19,21H,9-14H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol?
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).