1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol

C12H15Cl2NO — CID 62773402

IUPAC1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
SMILESCC(O)(CNC1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(16,7-15-9-3-4-9)10-6-8(13)2-5-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3
InChIKeyXFNVASZCOWNBIF-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds4

About 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol

1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol (PubChem CID 62773402) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
PubChem CID62773402
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
SMILESCC(O)(CNC1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(16,7-15-9-3-4-9)10-6-8(13)2-5-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3
InChIKeyXFNVASZCOWNBIF-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
CID 62787833
1-cyclohexyl-1-(2,5-dichlorophenyl)ethanol
CID 114794938
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
CID 115003193

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol (CID 62773402) is 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol is CC(O)(CNC1CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol?
The InChIKey is XFNVASZCOWNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(16,7-15-9-3-4-9)10-6-8(13)2-5-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol?
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 62773402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).