1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

C14H16BrNO — CID 43223395

IUPAC1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Br)o1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-8,11,16H,9H2,1-2H3
InChIKeyJGNQHSGNRKUQRQ-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 43223395) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID43223395
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Br)o1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-8,11,16H,9H2,1-2H3
InChIKeyJGNQHSGNRKUQRQ-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
CID 64579765
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43225293
1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 113343786
N-[(5-methylfuran-2-yl)methyl]-1-(2-nitrophenyl)ethanamine
CID 55081882
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257756
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 43223395) is 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccccc2Br)o1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is JGNQHSGNRKUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 294.19 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 43223395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).