1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine

C12H11BrClNO — CID 106854711

IUPAC1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1ccoc1Br
InChIInChI=1S/C12H11BrClNO/c13-12-10(4-5-16-12)11(15)7-8-2-1-3-9(14)6-8/h1-6,11H,7,15H2
InChIKeyQKOXSPFXYGBTDV-UHFFFAOYSA-N
MW300.58 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine

1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine (PubChem CID 106854711) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
PubChem CID106854711
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1ccoc1Br
InChIInChI=1S/C12H11BrClNO/c13-12-10(4-5-16-12)11(15)7-8-2-1-3-9(14)6-8/h1-6,11H,7,15H2
InChIKeyQKOXSPFXYGBTDV-UHFFFAOYSA-N
XLogP3.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
CID 106687882
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
CID 63507981
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine (CID 106854711) is 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is QKOXSPFXYGBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c13-12-10(4-5-16-12)11(15)7-8-2-1-3-9(14)6-8/h1-6,11H,7,15H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine?
1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine has a molecular weight of 300.58 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 106854711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).