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

C11H8BrClFNO — CID 64713982

IUPAC(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1F)c1occc1Br
InChIInChI=1S/C11H8BrClFNO/c12-7-4-5-16-11(7)10(15)6-2-1-3-8(13)9(6)14/h1-5,10H,15H2
InChIKeyIILSQDVKCZEGIA-UHFFFAOYSA-N
MW304.55 g/mol
LogP3.88
Rot. Bonds2

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

(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine (PubChem CID 64713982) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
PubChem CID64713982
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC Name(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1F)c1occc1Br
InChIInChI=1S/C11H8BrClFNO/c12-7-4-5-16-11(7)10(15)6-2-1-3-8(13)9(6)14/h1-5,10H,15H2
InChIKeyIILSQDVKCZEGIA-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 115861677
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine (CID 64713982) is (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine is NC(c1cccc(Cl)c1F)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine?
The InChIKey is IILSQDVKCZEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/c12-7-4-5-16-11(7)10(15)6-2-1-3-8(13)9(6)14/h1-5,10H,15H2.
What are the key properties of (3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine?
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine has a molecular weight of 304.55 g/mol, XLogP of 3.88, 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-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 64713982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).