2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol

C19H25ClN2O — CID 23395727

IUPAC2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2O/c1-2-22(13-14-23)12-11-21-15-16-3-5-17(6-4-16)18-7-9-19(20)10-8-18/h3-10,21,23H,2,11-15H2,1H3
InChIKeyZSRXSZCGVCMCIB-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.41
Rot. Bonds9

About 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol

2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol (PubChem CID 23395727) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol
PubChem CID23395727
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2O/c1-2-22(13-14-23)12-11-21-15-16-3-5-17(6-4-16)18-7-9-19(20)10-8-18/h3-10,21,23H,2,11-15H2,1H3
InChIKeyZSRXSZCGVCMCIB-UHFFFAOYSA-N
XLogP3.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
1-[(4-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111131330
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol (CID 23395727) is 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol is CCN(CCO)CCNCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol?
The InChIKey is ZSRXSZCGVCMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-2-22(13-14-23)12-11-21-15-16-3-5-17(6-4-16)18-7-9-19(20)10-8-18/h3-10,21,23H,2,11-15H2,1H3.
What are the key properties of 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol?
2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol has a molecular weight of 332.88 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol is sourced from PubChem (CID 23395727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).