1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine

C13H13BrFNO — CID 61036810

IUPAC1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccco1
InChIInChI=1S/C13H13BrFNO/c1-16(9-11-3-2-6-17-11)8-10-4-5-13(15)12(14)7-10/h2-7H,8-9H2,1H3
InChIKeyJXIBPXIMXPNUGV-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine (PubChem CID 61036810) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
PubChem CID61036810
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccco1
InChIInChI=1S/C13H13BrFNO/c1-16(9-11-3-2-6-17-11)8-10-4-5-13(15)12(14)7-10/h2-7H,8-9H2,1H3
InChIKeyJXIBPXIMXPNUGV-UHFFFAOYSA-N
XLogP3.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Furfenorex
CID 26762
3-bromo-N-(furan-2-ylmethyl)benzamide
CID 809128
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
Benzyl(furan-2-ylmethyl)amine
CID 39338
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
(4-Fluoro-benzyl)-furan-2-ylmethyl-amine
CID 777691
Benzyl(methyl)[(5-methylfuran-2-yl)methyl]amine
CID 782822
(3-Fluoro-benzyl)-furan-2-ylmethyl-amine
CID 777700
3-bromo-N-(2-furylmethyl)-4-methylbenzamide
CID 935017
N-(2-bromobenzyl)-2-furamide
CID 1247476
2-bromo-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 16014322
1-(3-Fluorobenzyl)-4-(2-furylmethyl)piperazine
CID 770192

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine (CID 61036810) is 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine is CN(Cc1ccc(F)c(Br)c1)Cc1ccco1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The InChIKey is JXIBPXIMXPNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-16(9-11-3-2-6-17-11)8-10-4-5-13(15)12(14)7-10/h2-7H,8-9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine has a molecular weight of 298.15 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 61036810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).