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

C12H11BrClNO — CID 81322931

IUPAC(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2ccc(Br)o2)c1
InChIInChI=1S/C12H11BrClNO/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12H,15H2,1H3
InChIKeyDBMJIWOKGLBQMG-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.05
Rot. Bonds2

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

(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine (PubChem CID 81322931) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
PubChem CID81322931
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2ccc(Br)o2)c1
InChIInChI=1S/C12H11BrClNO/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12H,15H2,1H3
InChIKeyDBMJIWOKGLBQMG-UHFFFAOYSA-N
XLogP4.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16227286
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CID 16344810
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CID 4723711
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CID 4203893
CID 4203893
CID 137424254
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CID 22299260
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CID 43149601
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CID 43149754
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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine (CID 81322931) is (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine is Cc1cc(Cl)cc(C(N)c2ccc(Br)o2)c1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine?
The InChIKey is DBMJIWOKGLBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12H,15H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine?
(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine has a molecular weight of 300.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine is sourced from PubChem (CID 81322931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).