2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol

C14H20ClNO2 — CID 111858860

IUPAC2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)c1ccccc1Cl)CC(O)C1CC1
InChIInChI=1S/C14H20ClNO2/c1-16(8-13(17)10-6-7-10)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9H2,1H3
InChIKeyAZGQIHOPNNLCDB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.08
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol

2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol (PubChem CID 111858860) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
PubChem CID111858860
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)c1ccccc1Cl)CC(O)C1CC1
InChIInChI=1S/C14H20ClNO2/c1-16(8-13(17)10-6-7-10)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9H2,1H3
InChIKeyAZGQIHOPNNLCDB-UHFFFAOYSA-N
XLogP2.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
CID 111858727
1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
CID 111614469
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol (CID 111858860) is 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol is CN(CC(O)c1ccccc1Cl)CC(O)C1CC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The InChIKey is AZGQIHOPNNLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(8-13(17)10-6-7-10)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol has a molecular weight of 269.77 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).