1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride

C17H25Cl3N2O2 — CID 120914540

IUPAC1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
SMILESCl.OC(CNC1CCCC1C1COCCN1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H24Cl2N2O2.ClH/c18-12-6-11(7-13(19)8-12)17(22)9-21-15-3-1-2-14(15)16-10-23-5-4-20-16;/h6-8,14-17,20-22H,1-5,9-10H2;1H
InChIKeyVFUSDPKNACIENX-UHFFFAOYSA-N
MW395.76 g/mol
LogP3.20
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride

1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride (PubChem CID 120914540) has the molecular formula C17H25Cl3N2O2 and a molecular weight of 395.76 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
PubChem CID120914540
Molecular FormulaC17H25Cl3N2O2
Molecular Weight395.76 g/mol
Exact Mass394.10
IUPAC Name1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
SMILESCl.OC(CNC1CCCC1C1COCCN1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H24Cl2N2O2.ClH/c18-12-6-11(7-13(19)8-12)17(22)9-21-15-3-1-2-14(15)16-10-23-5-4-20-16;/h6-8,14-17,20-22H,1-5,9-10H2;1H
InChIKeyVFUSDPKNACIENX-UHFFFAOYSA-N
XLogP3.20
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.76
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride (CID 120914540) is 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride is Cl.OC(CNC1CCCC1C1COCCN1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride?
The InChIKey is VFUSDPKNACIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2.ClH/c18-12-6-11(7-13(19)8-12)17(22)9-21-15-3-1-2-14(15)16-10-23-5-4-20-16;/h6-8,14-17,20-22H,1-5,9-10H2;1H.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride?
1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride has a molecular weight of 395.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 120914540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).