1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol

C12H18ClNO2 — CID 65106313

IUPAC1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO2/c1-12(2,16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-16H,7-8H2,1-2H3
InChIKeyOSXSCKDASYHMDW-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.73
Rot. Bonds5

About 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol

1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol (PubChem CID 65106313) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
PubChem CID65106313
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO2/c1-12(2,16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-16H,7-8H2,1-2H3
InChIKeyOSXSCKDASYHMDW-UHFFFAOYSA-N
XLogP1.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol 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

1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol (CID 65106313) is 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol is CC(C)(O)CNCC(O)c1ccccc1Cl.
What is the InChIKey of 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol?
The InChIKey is OSXSCKDASYHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(2,16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-16H,7-8H2,1-2H3.
What are the key properties of 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol?
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65106313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).