(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

C12H10BrClFNO — CID 106851898

IUPAC(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccoc2Br)c(Cl)cc1F
InChIInChI=1S/C12H10BrClFNO/c1-6-4-8(9(14)5-10(6)15)11(16)7-2-3-17-12(7)13/h2-5,11H,16H2,1H3
InChIKeyLACPTOWWDHWTEA-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.19
Rot. Bonds2

About (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (PubChem CID 106851898) has the molecular formula C12H10BrClFNO and a molecular weight of 318.57 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
PubChem CID106851898
Molecular FormulaC12H10BrClFNO
Molecular Weight318.57 g/mol
Exact Mass316.96
IUPAC Name(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccoc2Br)c(Cl)cc1F
InChIInChI=1S/C12H10BrClFNO/c1-6-4-8(9(14)5-10(6)15)11(16)7-2-3-17-12(7)13/h2-5,11H,16H2,1H3
InChIKeyLACPTOWWDHWTEA-UHFFFAOYSA-N
XLogP4.19
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (CID 106851898) is (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2ccoc2Br)c(Cl)cc1F.
What is the InChIKey of (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The InChIKey is LACPTOWWDHWTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNO/c1-6-4-8(9(14)5-10(6)15)11(16)7-2-3-17-12(7)13/h2-5,11H,16H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine has a molecular weight of 318.57 g/mol, XLogP of 4.19, 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-chloro-4-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 106851898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).