(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine

C16H14BrNO2 — CID 106851764

IUPAC(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3ccoc3Br)ccc2c1
InChIInChI=1S/C16H14BrNO2/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)14-6-7-20-16(14)17/h2-9,15H,18H2,1H3
InChIKeyNAZJGYIQAYJPKR-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.25
Rot. Bonds3

About (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine

(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine (PubChem CID 106851764) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
PubChem CID106851764
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3ccoc3Br)ccc2c1
InChIInChI=1S/C16H14BrNO2/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)14-6-7-20-16(14)17/h2-9,15H,18H2,1H3
InChIKeyNAZJGYIQAYJPKR-UHFFFAOYSA-N
XLogP4.25
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
(2-ethylfuran-3-yl)-(4-methoxyphenyl)methanamine
CID 114102970
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
(5-chlorofuran-2-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106684387
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671
[(2-bromofuran-3-yl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 106860090
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine (CID 106851764) is (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine is COc1ccc2cc(C(N)c3ccoc3Br)ccc2c1.
What is the InChIKey of (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine?
The InChIKey is NAZJGYIQAYJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)14-6-7-20-16(14)17/h2-9,15H,18H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine?
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine has a molecular weight of 332.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine is sourced from PubChem (CID 106851764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).