2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine

C17H26ClNO2 — CID 116765885

IUPAC2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OCC)CCOCC1
InChIInChI=1S/C17H26ClNO2/c1-3-19-16(13-14-6-5-7-15(18)12-14)17(21-4-2)8-10-20-11-9-17/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3
InChIKeyCZPSHGYHFBCDEZ-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.45
Rot. Bonds7

About 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine

2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine (PubChem CID 116765885) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
PubChem CID116765885
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OCC)CCOCC1
InChIInChI=1S/C17H26ClNO2/c1-3-19-16(13-14-6-5-7-15(18)12-14)17(21-4-2)8-10-20-11-9-17/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3
InChIKeyCZPSHGYHFBCDEZ-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine 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-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
[2-(3-chlorophenyl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275871
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine (CID 116765885) is 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)C1(OCC)CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The InChIKey is CZPSHGYHFBCDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-19-16(13-14-6-5-7-15(18)12-14)17(21-4-2)8-10-20-11-9-17/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine has a molecular weight of 311.85 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine is sourced from PubChem (CID 116765885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).