1-(dichloromethylamino)ethanol

C3H7Cl2NO — CID 57255602

IUPAC1-(dichloromethylamino)ethanol
SMILESCC(O)NC(Cl)Cl
InChIInChI=1S/C3H7Cl2NO/c1-2(7)6-3(4)5/h2-3,6-7H,1H3
InChIKeyURKUACYCTQSDMD-UHFFFAOYSA-N
MW144.00 g/mol
LogP0.68
Rot. Bonds2

About 1-(dichloromethylamino)ethanol

1-(dichloromethylamino)ethanol (PubChem CID 57255602) has the molecular formula C3H7Cl2NO and a molecular weight of 144.00 g/mol. Its IUPAC name is 1-(dichloromethylamino)ethanol.

Molecular Properties

Compound Name1-(dichloromethylamino)ethanol
PubChem CID57255602
Molecular FormulaC3H7Cl2NO
Molecular Weight144.00 g/mol
Exact Mass142.99
IUPAC Name1-(dichloromethylamino)ethanol
SMILESCC(O)NC(Cl)Cl
InChIInChI=1S/C3H7Cl2NO/c1-2(7)6-3(4)5/h2-3,6-7H,1H3
InChIKeyURKUACYCTQSDMD-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.00
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(propan-2-ylamino)ethanol
CID 20976152
1-(1-bromoethylamino)ethanol
CID 174881893
chloroform;propan-2-ol
CID 173195035
formic acid;1-(1-hydroxyethylamino)ethanol
CID 87300011
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
CID 173188984
1-(pentan-3-ylamino)ethanol
CID 18004281
1-(dichloromethylamino)propan-2-ol
CID 57172655
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethylamino)ethanol?
The IUPAC name of 1-(dichloromethylamino)ethanol (CID 57255602) is 1-(dichloromethylamino)ethanol.
What is the SMILES notation for 1-(dichloromethylamino)ethanol?
The canonical SMILES for 1-(dichloromethylamino)ethanol is CC(O)NC(Cl)Cl.
What is the InChIKey of 1-(dichloromethylamino)ethanol?
The InChIKey is URKUACYCTQSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2NO/c1-2(7)6-3(4)5/h2-3,6-7H,1H3.
What are the key properties of 1-(dichloromethylamino)ethanol?
1-(dichloromethylamino)ethanol has a molecular weight of 144.00 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethylamino)ethanol is sourced from PubChem (CID 57255602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).