(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine

C13H13BrClNO2 — CID 106684609

IUPAC(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(Cl)o2)cc1Br
InChIInChI=1S/C13H13BrClNO2/c1-2-17-10-4-3-8(7-9(10)14)13(16)11-5-6-12(15)18-11/h3-7,13H,2,16H2,1H3
InChIKeyNJPFSQFVLXRBGR-UHFFFAOYSA-N
MW330.61 g/mol
LogP4.14
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine

(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine (PubChem CID 106684609) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
PubChem CID106684609
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(Cl)o2)cc1Br
InChIInChI=1S/C13H13BrClNO2/c1-2-17-10-4-3-8(7-9(10)14)13(16)11-5-6-12(15)18-11/h3-7,13H,2,16H2,1H3
InChIKeyNJPFSQFVLXRBGR-UHFFFAOYSA-N
XLogP4.14
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
CID 104657790
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401408
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
CID 106688988
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine (CID 106684609) is (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine is CCOc1ccc(C(N)c2ccc(Cl)o2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine?
The InChIKey is NJPFSQFVLXRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c1-2-17-10-4-3-8(7-9(10)14)13(16)11-5-6-12(15)18-11/h3-7,13H,2,16H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine?
(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine has a molecular weight of 330.61 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine is sourced from PubChem (CID 106684609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).