(2S)-2-amino-2-(3-aminophenyl)ethanol

C8H12N2O — CID 66513825

IUPAC(2S)-2-amino-2-(3-aminophenyl)ethanol
SMILESNc1cccc([C@H](N)CO)c1
InChIInChI=1S/C8H12N2O/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,9-10H2/t8-/m1/s1
InChIKeyKQRBSZRUHHKPQE-MRVPVSSYSA-N
MW152.20 g/mol
LogP0.26
Rot. Bonds2

About (2S)-2-amino-2-(3-aminophenyl)ethanol

(2S)-2-amino-2-(3-aminophenyl)ethanol (PubChem CID 66513825) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-aminophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-aminophenyl)ethanol
PubChem CID66513825
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2S)-2-amino-2-(3-aminophenyl)ethanol
SMILESNc1cccc([C@H](N)CO)c1
InChIInChI=1S/C8H12N2O/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,9-10H2/t8-/m1/s1
InChIKeyKQRBSZRUHHKPQE-MRVPVSSYSA-N
XLogP0.26
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid
CID 55278123
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-aminophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-aminophenyl)ethanol (CID 66513825) is (2S)-2-amino-2-(3-aminophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-aminophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-aminophenyl)ethanol is Nc1cccc([C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-2-(3-aminophenyl)ethanol?
The InChIKey is KQRBSZRUHHKPQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,9-10H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-aminophenyl)ethanol?
(2S)-2-amino-2-(3-aminophenyl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-aminophenyl)ethanol is sourced from PubChem (CID 66513825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).