2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

C14H19BrClNO2 — CID 116764303

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C14H19BrClNO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3
InChIKeyUMEMOCREHHSUTG-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.17
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764303) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764303
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C14H19BrClNO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3
InChIKeyUMEMOCREHHSUTG-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276609
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764303) is 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccc(Br)cc2Cl)CCOCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is UMEMOCREHHSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 348.67 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).