(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine

C11H8Br2ClNO — CID 107993309

IUPAC(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Br)c1occc1Br
InChIInChI=1S/C11H8Br2ClNO/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5,10H,15H2
InChIKeyVPAUKKFQRRRSFV-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.51
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine

(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine (PubChem CID 107993309) has the molecular formula C11H8Br2ClNO and a molecular weight of 365.45 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
PubChem CID107993309
Molecular FormulaC11H8Br2ClNO
Molecular Weight365.45 g/mol
Exact Mass362.87
IUPAC Name(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Br)c1occc1Br
InChIInChI=1S/C11H8Br2ClNO/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5,10H,15H2
InChIKeyVPAUKKFQRRRSFV-UHFFFAOYSA-N
XLogP4.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)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

(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 115861677
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine (CID 107993309) is (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine is NC(c1ccc(Cl)cc1Br)c1occc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine?
The InChIKey is VPAUKKFQRRRSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5,10H,15H2.
What are the key properties of (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine?
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine has a molecular weight of 365.45 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine is sourced from PubChem (CID 107993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).