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

C12H12BrNO — CID 106856979

IUPAC(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccoc1Br
InChIInChI=1S/C12H12BrNO/c1-8-4-2-3-5-9(8)11(14)10-6-7-15-12(10)13/h2-7,11H,14H2,1H3
InChIKeySYZHFDAZFIHLNO-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.40
Rot. Bonds2

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

(2-bromofuran-3-yl)-(2-methylphenyl)methanamine (PubChem CID 106856979) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
PubChem CID106856979
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccoc1Br
InChIInChI=1S/C12H12BrNO/c1-8-4-2-3-5-9(8)11(14)10-6-7-15-12(10)13/h2-7,11H,14H2,1H3
InChIKeySYZHFDAZFIHLNO-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromofuran-3-yl)-(2-methylphenyl)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-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(2-methylphenyl)-phenylmethanamine
CID 15254157
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(2-methylphenyl)methanamine (CID 106856979) is (2-bromofuran-3-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(2-methylphenyl)methanamine?
The InChIKey is SYZHFDAZFIHLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8-4-2-3-5-9(8)11(14)10-6-7-15-12(10)13/h2-7,11H,14H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(2-methylphenyl)methanamine?
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine has a molecular weight of 266.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 106856979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).