(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine

C15H17BrClNO3 — CID 106851517

IUPAC(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)c2ccoc2Br)cc1OCC
InChIInChI=1S/C15H17BrClNO3/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14H,3-4,18H2,1-2H3
InChIKeyAQZZOEBGDLKYDI-UHFFFAOYSA-N
MW374.66 g/mol
LogP4.54
Rot. Bonds6

About (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine

(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine (PubChem CID 106851517) has the molecular formula C15H17BrClNO3 and a molecular weight of 374.66 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
PubChem CID106851517
Molecular FormulaC15H17BrClNO3
Molecular Weight374.66 g/mol
Exact Mass373.01
IUPAC Name(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)c2ccoc2Br)cc1OCC
InChIInChI=1S/C15H17BrClNO3/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14H,3-4,18H2,1-2H3
InChIKeyAQZZOEBGDLKYDI-UHFFFAOYSA-N
XLogP4.54
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
CID 106855351
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
(2-chloro-4,5-diethoxyphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79810158
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
CID 106855701
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine (CID 106851517) is (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine is CCOc1cc(Cl)c(C(N)c2ccoc2Br)cc1OCC.
What is the InChIKey of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine?
The InChIKey is AQZZOEBGDLKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO3/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14H,3-4,18H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine?
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine has a molecular weight of 374.66 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine is sourced from PubChem (CID 106851517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).