2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol

C14H19Cl2NO — CID 44522001

IUPAC2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CNC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h6-8,11,14,17-18H,1-5,9H2
InChIKeySFSZREBEVHRTHM-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.95
Rot. Bonds4

About 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol

2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 44522001) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol
PubChem CID44522001
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CNC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h6-8,11,14,17-18H,1-5,9H2
InChIKeySFSZREBEVHRTHM-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol (CID 44522001) is 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol is OC(CNC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is SFSZREBEVHRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h6-8,11,14,17-18H,1-5,9H2.
What are the key properties of 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol?
2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 288.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 44522001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).