1-chloroethanol;N,N-dimethylmethanamine

C5H14ClNO — CID 87179107

IUPAC1-chloroethanol;N,N-dimethylmethanamine
SMILESCC(O)Cl.CN(C)C
InChIInChI=1S/C3H9N.C2H5ClO/c1-4(2)3;1-2(3)4/h1-3H3;2,4H,1H3
InChIKeyIDEUMOSJBJDELE-UHFFFAOYSA-N
MW139.63 g/mol
LogP0.74
Rot. Bonds

About 1-chloroethanol;N,N-dimethylmethanamine

1-chloroethanol;N,N-dimethylmethanamine (PubChem CID 87179107) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is 1-chloroethanol;N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-chloroethanol;N,N-dimethylmethanamine
PubChem CID87179107
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name1-chloroethanol;N,N-dimethylmethanamine
SMILESCC(O)Cl.CN(C)C
InChIInChI=1S/C3H9N.C2H5ClO/c1-4(2)3;1-2(3)4/h1-3H3;2,4H,1H3
InChIKeyIDEUMOSJBJDELE-UHFFFAOYSA-N
XLogP0.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
CID 173170718
chloroform;N,N-dimethylmethanamine
CID 19983331
chloroform;propan-2-ol
CID 173195035
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1S)-1-chloropropane-1,2-diol
CID 57125002
(1R)-1-(dimethylamino)ethanol
CID 93477762
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
beryllium;hydride;propan-2-ol
CID 175546998
chloroform;methanol;propan-2-ol;hydrate
CID 159908806
1-chloro-N-(1-chloroethyl)-N-methylethanamine
CID 22463990
chloro(trimethyl)phosphanium
CID 15830224

Frequently Asked Questions

What is the IUPAC name of 1-chloroethanol;N,N-dimethylmethanamine?
The IUPAC name of 1-chloroethanol;N,N-dimethylmethanamine (CID 87179107) is 1-chloroethanol;N,N-dimethylmethanamine.
What is the SMILES notation for 1-chloroethanol;N,N-dimethylmethanamine?
The canonical SMILES for 1-chloroethanol;N,N-dimethylmethanamine is CC(O)Cl.CN(C)C.
What is the InChIKey of 1-chloroethanol;N,N-dimethylmethanamine?
The InChIKey is IDEUMOSJBJDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H5ClO/c1-4(2)3;1-2(3)4/h1-3H3;2,4H,1H3.
What are the key properties of 1-chloroethanol;N,N-dimethylmethanamine?
1-chloroethanol;N,N-dimethylmethanamine has a molecular weight of 139.63 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethanol;N,N-dimethylmethanamine is sourced from PubChem (CID 87179107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).