1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol

C13H20ClNO2 — CID 110908142

IUPAC1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
SMILESCOCCCN(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-15(8-3-9-17-2)10-13(16)11-4-6-12(14)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyGANKTUYCRUSCCY-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.34
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol

1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol (PubChem CID 110908142) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
PubChem CID110908142
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
SMILESCOCCCN(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-15(8-3-9-17-2)10-13(16)11-4-6-12(14)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyGANKTUYCRUSCCY-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]benzenecarbothioamide
CID 61427205
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111108072

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol (CID 110908142) is 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol is COCCCN(C)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The InChIKey is GANKTUYCRUSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-15(8-3-9-17-2)10-13(16)11-4-6-12(14)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol is sourced from PubChem (CID 110908142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).