2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol

C9H13ClN2O — CID 21361104

IUPAC2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol
SMILESCN(N)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3
InChIKeyJWRCXWFRSWXHSV-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.18
Rot. Bonds3

About 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol

2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol (PubChem CID 21361104) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol
PubChem CID21361104
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol
SMILESCN(N)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3
InChIKeyJWRCXWFRSWXHSV-UHFFFAOYSA-N
XLogP1.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tulobuterol
CID 5606
Clorprenaline
CID 2810
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
2-[Amino(methyl)amino]-1-phenylethanol
CID 9838666
n-Amino-l-ephedrine
CID 12776702
2-[Amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
2-[Amino(methyl)amino]-1-(2-chlorophenyl)ethanol
CID 21361102
2-[Amino(methyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 21361108
Benzenemethanol, 3,4-dichloro-alpha-((methylamino)methyl)-
CID 6451330
1-(4-Chlorophenyl)-2-(isopropylamino)ethanol
CID 24212023
2-Amino-1-(4-chlorophenyl)ethan-1-ol
CID 412434
2-[Amino(methyl)amino]-1-(4-fluorophenyl)ethanol
CID 46929632

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol (CID 21361104) is 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol is CN(N)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol?
The InChIKey is JWRCXWFRSWXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3.
What are the key properties of 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol?
2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol has a molecular weight of 200.67 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 21361104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).