2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine

C12H18ClNO2 — CID 65024254

IUPAC2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
SMILESClCCOCCNCCOc1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-6-9-15-10-7-14-8-11-16-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKeyGGEKQTPBUHCZTA-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.91
Rot. Bonds9

About 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine

2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine (PubChem CID 65024254) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
PubChem CID65024254
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
SMILESClCCOCCNCCOc1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-6-9-15-10-7-14-8-11-16-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKeyGGEKQTPBUHCZTA-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethoxy)-N-(2-phenoxyethyl)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

N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine (CID 65024254) is 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine is ClCCOCCNCCOc1ccccc1.
What is the InChIKey of 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine?
The InChIKey is GGEKQTPBUHCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-6-9-15-10-7-14-8-11-16-12-4-2-1-3-5-12/h1-5,14H,6-11H2.
What are the key properties of 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine?
2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine has a molecular weight of 243.73 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 65024254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).