(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol

C12H20N2O — CID 76963597

IUPAC(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
SMILESCC[C@@H](C)NC[C@@H](O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3/t9-,12-/m1/s1
InChIKeyUWYLQWLJGMLJQF-BXKDBHETSA-N
MW208.31 g/mol
LogP1.69
Rot. Bonds5

About (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol

(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol (PubChem CID 76963597) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
PubChem CID76963597
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
SMILESCC[C@@H](C)NC[C@@H](O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3/t9-,12-/m1/s1
InChIKeyUWYLQWLJGMLJQF-BXKDBHETSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]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

2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491
5-[2-[1-(4-aminophenyl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,3-diol
CID 67537362
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol?
The IUPAC name of (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol (CID 76963597) is (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol is CC[C@@H](C)NC[C@@H](O)c1ccc(N)cc1.
What is the InChIKey of (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol?
The InChIKey is UWYLQWLJGMLJQF-BXKDBHETSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol?
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol is sourced from PubChem (CID 76963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).