2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine

C15H21Cl2NO2 — CID 116765394

IUPAC2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-2-20-15(5-7-19-8-6-15)14(18)10-11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10,18H2,1H3
InChIKeyUMGZNXDCJQIMNW-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.45
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine

2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine (PubChem CID 116765394) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
PubChem CID116765394
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-2-20-15(5-7-19-8-6-15)14(18)10-11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10,18H2,1H3
InChIKeyUMGZNXDCJQIMNW-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine (CID 116765394) is 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine is CCOC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The InChIKey is UMGZNXDCJQIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-2-20-15(5-7-19-8-6-15)14(18)10-11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10,18H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine has a molecular weight of 318.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116765394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).