N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine

C10H16ClNO — CID 115215237

IUPACN-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(CCN(C)CCCl)o1
InChIInChI=1S/C10H16ClNO/c1-9-3-4-10(13-9)5-7-12(2)8-6-11/h3-4H,5-8H2,1-2H3
InChIKeyGMTMHGOAJQKSTE-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.30
Rot. Bonds5

About N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine

N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 115215237) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine
PubChem CID115215237
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(CCN(C)CCCl)o1
InChIInChI=1S/C10H16ClNO/c1-9-3-4-10(13-9)5-7-12(2)8-6-11/h3-4H,5-8H2,1-2H3
InChIKeyGMTMHGOAJQKSTE-UHFFFAOYSA-N
XLogP2.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine 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-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254151
(E)-4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]but-2-enoic acid
CID 115237377
N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213752
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanedioic acid
CID 115144679
2-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]propanenitrile
CID 115130586
3-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248557
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115187599
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine (CID 115215237) is N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(CCN(C)CCCl)o1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is GMTMHGOAJQKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-9-3-4-10(13-9)5-7-12(2)8-6-11/h3-4H,5-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine?
N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 201.70 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115215237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).