(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine

C12H11BrClNO2 — CID 43561843

IUPAC(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)o2)c(Cl)c1
InChIInChI=1S/C12H11BrClNO2/c1-16-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3
InChIKeyIUZWNTRKDBTHMU-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.75
Rot. Bonds3

About (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine

(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 43561843) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
PubChem CID43561843
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)o2)c(Cl)c1
InChIInChI=1S/C12H11BrClNO2/c1-16-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3
InChIKeyIUZWNTRKDBTHMU-UHFFFAOYSA-N
XLogP3.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880486
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(5-bromofuran-2-yl)-(2-chloro-5-fluorophenyl)methanamine
CID 105397394
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine (CID 43561843) is (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Br)o2)c(Cl)c1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is IUZWNTRKDBTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c1-16-7-2-3-8(9(14)6-7)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine?
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine has a molecular weight of 316.58 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).