2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

C16H23ClFNO2 — CID 116764982

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1(OC)CCOCC1
InChIInChI=1S/C16H23ClFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)10-12-4-5-13(18)11-14(12)17/h4-5,11,15,19H,3,6-10H2,1-2H3
InChIKeyZHZLTAPKLRNVMB-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.20
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764982) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764982
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1(OC)CCOCC1
InChIInChI=1S/C16H23ClFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)10-12-4-5-13(18)11-14(12)17/h4-5,11,15,19H,3,6-10H2,1-2H3
InChIKeyZHZLTAPKLRNVMB-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
[2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276609
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764982) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)C1(OC)CCOCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is ZHZLTAPKLRNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)10-12-4-5-13(18)11-14(12)17/h4-5,11,15,19H,3,6-10H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 315.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).