2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

C15H21ClFNO — CID 103040524

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21ClFNO/c1-2-19-15(7-3-4-8-15)14(18)10-11-5-6-13(17)12(16)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyJHCDQMPRXCAWIN-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (PubChem CID 103040524) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
PubChem CID103040524
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21ClFNO/c1-2-19-15(7-3-4-8-15)14(18)10-11-5-6-13(17)12(16)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyJHCDQMPRXCAWIN-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103044091
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (CID 103040524) is 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is CCOC1(C(N)Cc2ccc(F)c(Cl)c2)CCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The InChIKey is JHCDQMPRXCAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-19-15(7-3-4-8-15)14(18)10-11-5-6-13(17)12(16)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is sourced from PubChem (CID 103040524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).