2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol

C14H23ClN2O — CID 55014856

IUPAC2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3
InChIKeyZKFVKUJVMQXHSN-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.43
Rot. Bonds8

About 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol

2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol (PubChem CID 55014856) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol
PubChem CID55014856
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3
InChIKeyZKFVKUJVMQXHSN-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol (CID 55014856) is 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol is CCCCN(CCO)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol?
The InChIKey is ZKFVKUJVMQXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3.
What are the key properties of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol?
2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol has a molecular weight of 270.80 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-butylamino]ethanol is sourced from PubChem (CID 55014856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).