2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

C15H21BrClNO — CID 116761557

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C15H21BrClNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14H,2-4,7-9,18H2,1H3
InChIKeyIDRQIJBXHXSSCB-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (PubChem CID 116761557) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
PubChem CID116761557
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C15H21BrClNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14H,2-4,7-9,18H2,1H3
InChIKeyIDRQIJBXHXSSCB-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (CID 116761557) is 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is CCOC1(C(N)Cc2ccc(Br)cc2Cl)CCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The InChIKey is IDRQIJBXHXSSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14H,2-4,7-9,18H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine has a molecular weight of 346.70 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is sourced from PubChem (CID 116761557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).