2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol

C22H25ClN2O2 — CID 4720282

IUPAC2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol
SMILESOCCNCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H25ClN2O2/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-25-12-11-24-13-14-26/h1-10,24-26H,11-16H2
InChIKeyKHTUYLDLVOHSQM-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.74
Rot. Bonds10

About 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol

2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol (PubChem CID 4720282) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol
PubChem CID4720282
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol
SMILESOCCNCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H25ClN2O2/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-25-12-11-24-13-14-26/h1-10,24-26H,11-16H2
InChIKeyKHTUYLDLVOHSQM-UHFFFAOYSA-N
XLogP3.74
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
1-{[2-({[2-(Benzyloxy)-1-naphthyl]methyl}amino)ethyl]amino}-2-propanol
CID 11948843
2-[[2-[(4-Chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2949571
2-[[2-[(2,4-Dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol
CID 2951430
2-({[2-(Benzyloxy)naphthalen-1-yl]methyl}amino)-1-phenylethanol
CID 4720258
(2-Ethoxy-naphthalen-1-ylmethyl)-(3-morpholin-4-yl-propyl)-amine
CID 56603483
N-benzyl-3-[(4-chloro-1-naphthyl)oxy]-1-propanamine oxalate
CID 2935834
1-[2-(4-Chlorophenyl)ethylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 4388447
CID 6603331
CID 6603331
(2-Allyloxy-naphthalen-1-ylmethyl)-(3-morpholin-4-yl-propyl)-amine
CID 11958702
2-(((2-((4-Chlorobenzyl)oxy)naphthalen-1-yl)methyl)amino)ethanol hydrochloride
CID 17155105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol (CID 4720282) is 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol is OCCNCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol?
The InChIKey is KHTUYLDLVOHSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-25-12-11-24-13-14-26/h1-10,24-26H,11-16H2.
What are the key properties of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol?
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol has a molecular weight of 384.91 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol is sourced from PubChem (CID 4720282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).