2-chloroethanamine;N,N-dimethylmethanamine

C5H15ClN2 — CID 87770538

IUPAC2-chloroethanamine;N,N-dimethylmethanamine
SMILESCN(C)C.NCCCl
InChIInChI=1S/C3H9N.C2H6ClN/c1-4(2)3;3-1-2-4/h1-3H3;1-2,4H2
InChIKeyFFZQLLNYFUTGRE-UHFFFAOYSA-N
MW138.64 g/mol
LogP0.36
Rot. Bonds1

About 2-chloroethanamine;N,N-dimethylmethanamine

2-chloroethanamine;N,N-dimethylmethanamine (PubChem CID 87770538) has the molecular formula C5H15ClN2 and a molecular weight of 138.64 g/mol. Its IUPAC name is 2-chloroethanamine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-chloroethanamine;N,N-dimethylmethanamine
PubChem CID87770538
Molecular FormulaC5H15ClN2
Molecular Weight138.64 g/mol
Exact Mass138.09
IUPAC Name2-chloroethanamine;N,N-dimethylmethanamine
SMILESCN(C)C.NCCCl
InChIInChI=1S/C3H9N.C2H6ClN/c1-4(2)3;3-1-2-4/h1-3H3;1-2,4H2
InChIKeyFFZQLLNYFUTGRE-UHFFFAOYSA-N
XLogP0.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 50.36
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

(2-Chloroethyl)dimethylamine, chloride
CID 20717
2-Dimethylammonioethyl chloride
CID 3451792
N'-(2-chloroethyl)-N'-methylethane-1,2-diamine
CID 16720081
3-Chlorodiethylamine
CID 20394610
2-Chloroethyl(dimethyl)azanium chloride
CID 59159888
2-Chloroethyl(diethyl)azanium
CID 6992605
2-chloropropan-1-amine;N-methylmethanamine
CID 20161757
N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine
CID 21419871
1-chloro-N-methylethanamine
CID 21445416
2-Chloroethyl-ethyl-methylazanium
CID 38988928
1-chloro-N,N-dimethylpropane-1,3-diamine
CID 56979251
(1-Amino-2-chloroethyl)-trimethylazanium
CID 57066096

Frequently Asked Questions

What is the IUPAC name of 2-chloroethanamine;N,N-dimethylmethanamine?
The IUPAC name of 2-chloroethanamine;N,N-dimethylmethanamine (CID 87770538) is 2-chloroethanamine;N,N-dimethylmethanamine.
What is the SMILES notation for 2-chloroethanamine;N,N-dimethylmethanamine?
The canonical SMILES for 2-chloroethanamine;N,N-dimethylmethanamine is CN(C)C.NCCCl.
What is the InChIKey of 2-chloroethanamine;N,N-dimethylmethanamine?
The InChIKey is FFZQLLNYFUTGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H6ClN/c1-4(2)3;3-1-2-4/h1-3H3;1-2,4H2.
What are the key properties of 2-chloroethanamine;N,N-dimethylmethanamine?
2-chloroethanamine;N,N-dimethylmethanamine has a molecular weight of 138.64 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanamine;N,N-dimethylmethanamine is sourced from PubChem (CID 87770538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).