2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol

C15H15Cl2NO — CID 70463218

IUPAC2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c16-13-7-6-12(8-14(13)17)15(19)10-18-9-11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2
InChIKeyYWXQQZANPBBUNI-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.82
Rot. Bonds5

About 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol

2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 70463218) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
PubChem CID70463218
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c16-13-7-6-12(8-14(13)17)15(19)10-18-9-11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2
InChIKeyYWXQQZANPBBUNI-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
benzyl-[(2S)-3-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]phosphinic acid
CID 18658127
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
4-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-dichlorophenyl)butan-2-ol
CID 66976278
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-(butylamino)-1-(3,4-dichlorophenyl)ethanol
CID 82315757

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol (CID 70463218) is 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol is OC(CNCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is YWXQQZANPBBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-7-6-12(8-14(13)17)15(19)10-18-9-11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2.
What are the key properties of 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol?
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 296.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 70463218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).