2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol

C17H20ClNO — CID 123406451

IUPAC2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(N)C(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)17(20)14-4-3-5-15(18)10-14/h3-11,16-17,20H,19H2,1-2H3
InChIKeyNVGXEGMJZRZFJP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.20
Rot. Bonds4

About 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol

2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 123406451) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID123406451
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(N)C(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)17(20)14-4-3-5-15(18)10-14/h3-11,16-17,20H,19H2,1-2H3
InChIKeyNVGXEGMJZRZFJP-UHFFFAOYSA-N
XLogP4.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)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

(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 89490664
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 123406451) is 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(N)C(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is NVGXEGMJZRZFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)17(20)14-4-3-5-15(18)10-14/h3-11,16-17,20H,19H2,1-2H3.
What are the key properties of 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 289.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 123406451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).