2-[(3,5-dichlorophenyl)methylamino]ethanol

C9H11Cl2NO — CID 60788804

IUPAC2-[(3,5-dichlorophenyl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c10-8-3-7(4-9(11)5-8)6-12-1-2-13/h3-5,12-13H,1-2,6H2
InChIKeyUZKCABKTBLSCSX-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.08
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)methylamino]ethanol

2-[(3,5-dichlorophenyl)methylamino]ethanol (PubChem CID 60788804) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]ethanol
PubChem CID60788804
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c10-8-3-7(4-9(11)5-8)6-12-1-2-13/h3-5,12-13H,1-2,6H2
InChIKeyUZKCABKTBLSCSX-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649025
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(3,5-dichlorophenyl)methyl]hydroxylamine
CID 75481736
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide
CID 66749518
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491413
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
CID 102674934
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]ethanol (CID 60788804) is 2-[(3,5-dichlorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]ethanol is OCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]ethanol?
The InChIKey is UZKCABKTBLSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-8-3-7(4-9(11)5-8)6-12-1-2-13/h3-5,12-13H,1-2,6H2.
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]ethanol?
2-[(3,5-dichlorophenyl)methylamino]ethanol has a molecular weight of 220.10 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]ethanol is sourced from PubChem (CID 60788804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).