1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol

C14H20ClNO2 — CID 111565238

IUPAC1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
SMILESCN(CC(O)c1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(11-6-8-18-9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3
InChIKeyNYMUXUFBAWWGOT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol

1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol (PubChem CID 111565238) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
PubChem CID111565238
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
SMILESCN(CC(O)c1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(11-6-8-18-9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3
InChIKeyNYMUXUFBAWWGOT-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
1-[2-[methyl(oxan-4-yl)amino]phenyl]ethanol
CID 43611437
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
CID 119074169
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977771
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol (CID 111565238) is 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol is CN(CC(O)c1ccccc1Cl)C1CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The InChIKey is NYMUXUFBAWWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(11-6-8-18-9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol is sourced from PubChem (CID 111565238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).