(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine

C13H14BrNO — CID 114330324

IUPAC(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2)cc(C)c1Br
InChIInChI=1S/C13H14BrNO/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13H,15H2,1-2H3
InChIKeyASDBXMHSJBZFRP-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.71
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine

(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine (PubChem CID 114330324) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
PubChem CID114330324
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2)cc(C)c1Br
InChIInChI=1S/C13H14BrNO/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13H,15H2,1-2H3
InChIKeyASDBXMHSJBZFRP-UHFFFAOYSA-N
XLogP3.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(3-bromophenyl)-(furan-3-yl)methanamine;methanethione
CID 143594440
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 114330142
furan-3-ylmethanediamine
CID 54545098

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine (CID 114330324) is (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine is Cc1cc(C(N)c2ccoc2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine?
The InChIKey is ASDBXMHSJBZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 114330324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).