2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol

C19H23Cl2NO2 — CID 22715142

IUPAC2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
SMILESCN(CCO)CCCC(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H23Cl2NO2/c1-22(12-13-23)11-5-8-18(15-6-3-2-4-7-15)24-19-14-16(20)9-10-17(19)21/h2-4,6-7,9-10,14,18,23H,5,8,11-13H2,1H3
InChIKeyQBQXIVSTBUZLOG-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.82
Rot. Bonds9

About 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol

2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol (PubChem CID 22715142) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
PubChem CID22715142
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
SMILESCN(CCO)CCCC(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H23Cl2NO2/c1-22(12-13-23)11-5-8-18(15-6-3-2-4-7-15)24-19-14-16(20)9-10-17(19)21/h2-4,6-7,9-10,14,18,23H,5,8,11-13H2,1H3
InChIKeyQBQXIVSTBUZLOG-UHFFFAOYSA-N
XLogP4.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
CID 70632490
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
lithium 2-[[(3S)-3-(3,4-dichlorophenoxy)-3-phenylpropyl]-methylamino]acetate
CID 101120665
3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 22489955
3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
CID 115217130
2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
CID 25139963
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol (CID 22715142) is 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol is CN(CCO)CCCC(Oc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol?
The InChIKey is QBQXIVSTBUZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-22(12-13-23)11-5-8-18(15-6-3-2-4-7-15)24-19-14-16(20)9-10-17(19)21/h2-4,6-7,9-10,14,18,23H,5,8,11-13H2,1H3.
What are the key properties of 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol?
2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol has a molecular weight of 368.30 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol is sourced from PubChem (CID 22715142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).