(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine

C11H9BrFNO — CID 63941261

IUPAC(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1occc1Br
InChIInChI=1S/C11H9BrFNO/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10H,14H2
InChIKeyWDPKVVBNGZYJFC-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.23
Rot. Bonds2

About (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine

(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine (PubChem CID 63941261) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
PubChem CID63941261
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1occc1Br
InChIInChI=1S/C11H9BrFNO/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10H,14H2
InChIKeyWDPKVVBNGZYJFC-UHFFFAOYSA-N
XLogP3.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine
CID 104804536
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 115861677
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
CID 105150495
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
CID 164552922
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
[(3-fluorophenyl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269411

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine (CID 63941261) is (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine?
The InChIKey is WDPKVVBNGZYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10H,14H2.
What are the key properties of (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine?
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine has a molecular weight of 270.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 63941261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).