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

C9H13ClN2O — CID 21361102

IUPAC2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol
SMILESCN(N)CC(O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-4-2-3-5-8(7)10/h2-5,9,13H,6,11H2,1H3
InChIKeyKSDSEQBRJRMSAK-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.18
Rot. Bonds3

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

2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol (PubChem CID 21361102) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol
PubChem CID21361102
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol
SMILESCN(N)CC(O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-4-2-3-5-8(7)10/h2-5,9,13H,6,11H2,1H3
InChIKeyKSDSEQBRJRMSAK-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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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol (CID 21361102) is 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol is CN(N)CC(O)c1ccccc1Cl.
What is the InChIKey of 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol?
The InChIKey is KSDSEQBRJRMSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12(11)6-9(13)7-4-2-3-5-8(7)10/h2-5,9,13H,6,11H2,1H3.
What are the key properties of 2-[amino(methyl)amino]-1-(2-chlorophenyl)ethanol?
2-[amino(methyl)amino]-1-(2-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-(2-chlorophenyl)ethanol is sourced from PubChem (CID 21361102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).