(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol

C17H19Cl2NO — CID 92856160

IUPAC(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
SMILESCCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10,17,21H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyZIIWILKHOWBKRY-QGZVFWFLSA-N
MW324.25 g/mol
LogP4.55
Rot. Bonds6

About (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol

(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol (PubChem CID 92856160) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
PubChem CID92856160
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
SMILESCCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10,17,21H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyZIIWILKHOWBKRY-QGZVFWFLSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-2-(3,4-dichlorophenyl)propanoate
CID 68870481
2-[benzyl(ethyl)amino]-1-(4-imidazol-1-ylphenyl)ethanol;phosphoric acid
CID 14555662
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
CID 4618279
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
2-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(4-chlorophenyl)ethanol
CID 21450201

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol (CID 92856160) is (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol is CCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is ZIIWILKHOWBKRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10,17,21H,2,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol?
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 324.25 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 92856160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).