2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine

C14H15BrFNO — CID 117048660

IUPAC2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccco1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNO/c1-14(9-17,8-10-4-3-7-18-10)11-5-2-6-12(15)13(11)16/h2-7H,8-9,17H2,1H3
InChIKeyUFOIWAXETRVZFW-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.64
Rot. Bonds4

About 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine

2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine (PubChem CID 117048660) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
PubChem CID117048660
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccco1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNO/c1-14(9-17,8-10-4-3-7-18-10)11-5-2-6-12(15)13(11)16/h2-7H,8-9,17H2,1H3
InChIKeyUFOIWAXETRVZFW-UHFFFAOYSA-N
XLogP3.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
2-Methyl-2-(5-fluorobenzofur-7-yl)-1-aminopropane
CID 22144792
3-(4-Fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 2771859
1(r)-Methyl[gamma-(p-fluorophenyl)-gamma-(2-furyl)propyl]amine
CID 129796428
1-(3-Bromo-5-fluoro-1-benzofuran-7-yl)propan-2-amine
CID 9796647
1-[[3-(3-Bromofuran-2-yl)-4-fluorophenyl]methyl]cyclopropan-1-amine
CID 90008017
1-[[5-(3-Bromofuran-2-yl)-2-fluorophenyl]methyl]cyclopropan-1-amine
CID 90008034
3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 123908841
4-(3-Bromophenyl)-2-methylfuran
CID 69481156
(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 921480
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 921481
[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium
CID 6954539

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine (CID 117048660) is 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine is CC(CN)(Cc1ccco1)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine?
The InChIKey is UFOIWAXETRVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-14(9-17,8-10-4-3-7-18-10)11-5-2-6-12(15)13(11)16/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine?
2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine has a molecular weight of 312.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 117048660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).