(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine

C15H18BrNO — CID 106851480

IUPAC(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccoc2Br)c1C
InChIInChI=1S/C15H18BrNO/c1-8-7-9(2)11(4)13(10(8)3)14(17)12-5-6-18-15(12)16/h5-7,14H,17H2,1-4H3
InChIKeyQBRMCTDJCUWDHF-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.32
Rot. Bonds2

About (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine

(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 106851480) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID106851480
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccoc2Br)c1C
InChIInChI=1S/C15H18BrNO/c1-8-7-9(2)11(4)13(10(8)3)14(17)12-5-6-18-15(12)16/h5-7,14H,17H2,1-4H3
InChIKeyQBRMCTDJCUWDHF-UHFFFAOYSA-N
XLogP4.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43095843
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]-2-methylfuran
CID 63442086
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 106851480) is (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2ccoc2Br)c1C.
What is the InChIKey of (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is QBRMCTDJCUWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-8-7-9(2)11(4)13(10(8)3)14(17)12-5-6-18-15(12)16/h5-7,14H,17H2,1-4H3.
What are the key properties of (2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 4.32, 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)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 106851480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).