2-(tert-butylamino)-1-(2-chlorophenyl)ethanol

C12H18ClNO — CID 5606

IUPAC2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
InChIKeyYREYLAVBNPACJM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.76
Rot. Bonds3

About 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol

2-(tert-butylamino)-1-(2-chlorophenyl)ethanol (PubChem CID 5606) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
PubChem CID5606
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
InChIKeyYREYLAVBNPACJM-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-1-(2-chlorophenyl)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

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Pseudoephedrine Hydrochloride
CID 9581
DL-Ephedrine
CID 5032
Dichloroisoproterenol
CID 5806
Clorprenaline
CID 2810
Tulobuterol Hydrochloride
CID 5702285
N-Methylphenylethanolamine
CID 913
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
Meluadrine
CID 3045414

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol (CID 5606) is 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol is CC(C)(C)NCC(O)c1ccccc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The InChIKey is YREYLAVBNPACJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol has a molecular weight of 227.74 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 5606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).