2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol

C15H23NO2 — CID 64803684

IUPAC2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
SMILESCc1ccc(OCC(C)(CO)NC2CC2)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11-4-7-14(12(2)8-11)18-10-15(3,9-17)16-13-5-6-13/h4,7-8,13,16-17H,5-6,9-10H2,1-3H3
InChIKeyOPDYYFXSGLPFLS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.19
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol

2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol (PubChem CID 64803684) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
PubChem CID64803684
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
SMILESCc1ccc(OCC(C)(CO)NC2CC2)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11-4-7-14(12(2)8-11)18-10-15(3,9-17)16-13-5-6-13/h4,7-8,13,16-17H,5-6,9-10H2,1-3H3
InChIKeyOPDYYFXSGLPFLS-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802269
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63920376
3-(2,4-dimethylphenoxy)-2,2-dimethylpropanethioamide
CID 82083934
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol (CID 64803684) is 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol is Cc1ccc(OCC(C)(CO)NC2CC2)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol?
The InChIKey is OPDYYFXSGLPFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-7-14(12(2)8-11)18-10-15(3,9-17)16-13-5-6-13/h4,7-8,13,16-17H,5-6,9-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 64803684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).