(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone

C17H18ClNO2 — CID 110168264

IUPAC(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
SMILESCN(CCO)Cc1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(10-11-20)12-14-4-2-3-5-16(14)17(21)13-6-8-15(18)9-7-13/h2-9,20H,10-12H2,1H3
InChIKeyBVAZSFAHNYDBDA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.00
Rot. Bonds6

About (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone

(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone (PubChem CID 110168264) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
PubChem CID110168264
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
SMILESCN(CCO)Cc1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(10-11-20)12-14-4-2-3-5-16(14)17(21)13-6-8-15(18)9-7-13/h2-9,20H,10-12H2,1H3
InChIKeyBVAZSFAHNYDBDA-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone (CID 110168264) is (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone is CN(CCO)Cc1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone?
The InChIKey is BVAZSFAHNYDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(10-11-20)12-14-4-2-3-5-16(14)17(21)13-6-8-15(18)9-7-13/h2-9,20H,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone?
(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone has a molecular weight of 303.79 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone is sourced from PubChem (CID 110168264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).