2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol

C18H28N2O — CID 116695124

IUPAC2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
SMILESCCN(CCC(CO)(NC1CC1)c1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-2-20(17-10-11-17)13-12-18(14-21,19-16-8-9-16)15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3
InChIKeyKIOPMBKVUVUZLR-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.50
Rot. Bonds9

About 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol

2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol (PubChem CID 116695124) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
PubChem CID116695124
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
SMILESCCN(CCC(CO)(NC1CC1)c1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-2-20(17-10-11-17)13-12-18(14-21,19-16-8-9-16)15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3
InChIKeyKIOPMBKVUVUZLR-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
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-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol (CID 116695124) is 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol is CCN(CCC(CO)(NC1CC1)c1ccccc1)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol?
The InChIKey is KIOPMBKVUVUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-20(17-10-11-17)13-12-18(14-21,19-16-8-9-16)15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol?
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).