1-chloro-N-(1-chloroethyl)-N-methylethanamine

C5H11Cl2N — CID 22463990

IUPAC1-chloro-N-(1-chloroethyl)-N-methylethanamine
SMILESCC(Cl)N(C)C(C)Cl
InChIInChI=1S/C5H11Cl2N/c1-4(6)8(3)5(2)7/h4-5H,1-3H3
InChIKeyUCUSZWRFLOUYIG-UHFFFAOYSA-N
MW156.06 g/mol
LogP2.09
Rot. Bonds2

About 1-chloro-N-(1-chloroethyl)-N-methylethanamine

1-chloro-N-(1-chloroethyl)-N-methylethanamine (PubChem CID 22463990) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 1-chloro-N-(1-chloroethyl)-N-methylethanamine.

Molecular Properties

Compound Name1-chloro-N-(1-chloroethyl)-N-methylethanamine
PubChem CID22463990
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name1-chloro-N-(1-chloroethyl)-N-methylethanamine
SMILESCC(Cl)N(C)C(C)Cl
InChIInChI=1S/C5H11Cl2N/c1-4(6)8(3)5(2)7/h4-5H,1-3H3
InChIKeyUCUSZWRFLOUYIG-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloroform;N,N-dimethylmethanamine
CID 19983331
1-chloroethanol;N,N-dimethylmethanamine
CID 87179107
CID 19838362
CID 19838362
chloro(trimethyl)phosphanium
CID 15830224
CID 118356908
CID 118356908
magnesium;2-chloropropane;dichloride
CID 158508799
2-chlorobutane;silane
CID 174414093
(1-Chloroethoxy)silane
CID 23045874
2-methylpropane;silane
CID 174107172
bromo-chloro-dimethylphosphanium
CID 23415191
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
2-chloropropane;bis(N-methylmethanamine)
CID 88525662

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1-chloroethyl)-N-methylethanamine?
The IUPAC name of 1-chloro-N-(1-chloroethyl)-N-methylethanamine (CID 22463990) is 1-chloro-N-(1-chloroethyl)-N-methylethanamine.
What is the SMILES notation for 1-chloro-N-(1-chloroethyl)-N-methylethanamine?
The canonical SMILES for 1-chloro-N-(1-chloroethyl)-N-methylethanamine is CC(Cl)N(C)C(C)Cl.
What is the InChIKey of 1-chloro-N-(1-chloroethyl)-N-methylethanamine?
The InChIKey is UCUSZWRFLOUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-4(6)8(3)5(2)7/h4-5H,1-3H3.
What are the key properties of 1-chloro-N-(1-chloroethyl)-N-methylethanamine?
1-chloro-N-(1-chloroethyl)-N-methylethanamine has a molecular weight of 156.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1-chloroethyl)-N-methylethanamine is sourced from PubChem (CID 22463990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).