2-chloro-N-ethyl-N-methylethanamine;propane

C8H20ClN — CID 143204321

IUPAC2-chloro-N-ethyl-N-methylethanamine;propane
SMILESCCC.CCN(C)CCCl
InChIInChI=1S/C5H12ClN.C3H8/c1-3-7(2)5-4-6;1-3-2/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyIYEBXVSIOBLNIR-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-ethyl-N-methylethanamine;propane

2-chloro-N-ethyl-N-methylethanamine;propane (PubChem CID 143204321) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-methylethanamine;propane.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-methylethanamine;propane
PubChem CID143204321
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Name2-chloro-N-ethyl-N-methylethanamine;propane
SMILESCCC.CCN(C)CCCl
InChIInChI=1S/C5H12ClN.C3H8/c1-3-7(2)5-4-6;1-3-2/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyIYEBXVSIOBLNIR-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethyl-N-methylethanamine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
CID 53350389
2-chloro-N-(2-chloroethyl)-N-methylethanamine;dichloronickel(1+);trihydrate
CID 6333402
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
acetic acid;2-chloro-N-(2-chloroethyl)-N-methylethanamine
CID 155047946
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
2-[dimethylamino(methyl)amino]-N-ethyl-N-methylethanamine
CID 167248768
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
N-ethyl-N-methyltridecan-1-amine
CID 71442842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-methylethanamine;propane?
The IUPAC name of 2-chloro-N-ethyl-N-methylethanamine;propane (CID 143204321) is 2-chloro-N-ethyl-N-methylethanamine;propane.
What is the SMILES notation for 2-chloro-N-ethyl-N-methylethanamine;propane?
The canonical SMILES for 2-chloro-N-ethyl-N-methylethanamine;propane is CCC.CCN(C)CCCl.
What is the InChIKey of 2-chloro-N-ethyl-N-methylethanamine;propane?
The InChIKey is IYEBXVSIOBLNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN.C3H8/c1-3-7(2)5-4-6;1-3-2/h3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-methylethanamine;propane?
2-chloro-N-ethyl-N-methylethanamine;propane has a molecular weight of 165.71 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-methylethanamine;propane is sourced from PubChem (CID 143204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).