2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol

C11H13Cl2NO — CID 61056839

IUPAC2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
SMILESOCC(NC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-7(4-9(13)5-8)11(6-15)14-10-1-2-10/h3-5,10-11,14-15H,1-2,6H2
InChIKeySDBZNHJNFFZDLM-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.78
Rot. Bonds4

About 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol

2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol (PubChem CID 61056839) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
PubChem CID61056839
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
SMILESOCC(NC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-7(4-9(13)5-8)11(6-15)14-10-1-2-10/h3-5,10-11,14-15H,1-2,6H2
InChIKeySDBZNHJNFFZDLM-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 141286037
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol (CID 61056839) is 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol is OCC(NC1CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol?
The InChIKey is SDBZNHJNFFZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-3-7(4-9(13)5-8)11(6-15)14-10-1-2-10/h3-5,10-11,14-15H,1-2,6H2.
What are the key properties of 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol?
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol has a molecular weight of 246.14 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 61056839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).