1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol

C9H13ClN2O — CID 105453261

IUPAC1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5,11H2,1H3
InChIKeyAXLGPAAFDFAGSD-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.17
Rot. Bonds3

About 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol

1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol (PubChem CID 105453261) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
PubChem CID105453261
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5,11H2,1H3
InChIKeyAXLGPAAFDFAGSD-UHFFFAOYSA-N
XLogP1.17
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.17
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

1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
1-[3-(2-amino-5-chlorophenyl)-3-hydroxypropyl]-3-ethylthiourea
CID 127047967
(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
CID 130707571
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
CID 130893189
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(5-chloro-2-fluorophenyl)-2-hydrazinylethanol
CID 82649992
(R)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389406
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389407
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol (CID 105453261) is 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol?
The InChIKey is AXLGPAAFDFAGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5,11H2,1H3.
What are the key properties of 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol?
1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol has a molecular weight of 200.67 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 105453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).