(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine

C14H16BrNO3 — CID 43464484

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(C)o2)cc1OC
InChIInChI=1S/C14H16BrNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h4-7,14H,16H2,1-3H3
InChIKeyGMXXGQMIXYLXOM-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.42
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine

(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 43464484) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
PubChem CID43464484
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(C)o2)cc1OC
InChIInChI=1S/C14H16BrNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h4-7,14H,16H2,1-3H3
InChIKeyGMXXGQMIXYLXOM-UHFFFAOYSA-N
XLogP3.42
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 79415742
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine (CID 43464484) is (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine is COc1cc(Br)c(C(N)c2ccc(C)o2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is GMXXGQMIXYLXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h4-7,14H,16H2,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 326.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43464484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).