2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine

C13H16BrNO — CID 102651472

IUPAC2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)C1=CCCO1
InChIInChI=1S/C13H16BrNO/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-3,5-7,12,15H,4,8-9H2,1H3
InChIKeyDNURAWHFVJVMQX-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine

2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine (PubChem CID 102651472) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine
PubChem CID102651472
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)C1=CCCO1
InChIInChI=1S/C13H16BrNO/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-3,5-7,12,15H,4,8-9H2,1H3
InChIKeyDNURAWHFVJVMQX-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 102651363
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 102649497
1-(2,3-dihydrofuran-5-yl)-N-methyl-2-naphthalen-2-ylethanamine
CID 102652890
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine (CID 102651472) is 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine is CNC(Cc1ccccc1Br)C1=CCCO1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine?
The InChIKey is DNURAWHFVJVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-3,5-7,12,15H,4,8-9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine has a molecular weight of 282.18 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 102651472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).