1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine

C13H20ClNO2 — CID 62911552

IUPAC1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
SMILESCCOCCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-4-16-7-8-17-13-6-5-11(9-12(13)14)10(2)15-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyFXGPSTPIZBFSIN-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.04
Rot. Bonds7

About 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine (PubChem CID 62911552) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
PubChem CID62911552
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
SMILESCCOCCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-4-16-7-8-17-13-6-5-11(9-12(13)14)10(2)15-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyFXGPSTPIZBFSIN-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine 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

1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
1-[3-bromo-4-(2-propoxyethoxy)phenyl]-N-methylethanamine
CID 55233854
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 63697573
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine (CID 62911552) is 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine is CCOCCOc1ccc(C(C)NC)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine?
The InChIKey is FXGPSTPIZBFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-16-7-8-17-13-6-5-11(9-12(13)14)10(2)15-3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine has a molecular weight of 257.76 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 62911552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).