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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Related Compounds

1-(2-methoxyphenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914206
1,1,1-trifluoro-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-2-ol;hydrochloride
CID 120916188
1-cyclohexyl-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol
CID 120913923
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914924
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914216
1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
CID 120915734
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329

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).