N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C17H22BrNO — CID 79096339

IUPACN-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C17H22BrNO/c1-5-13-7-8-16(20-13)17(19-6-2)14-9-12(4)15(18)10-11(14)3/h7-10,17,19H,5-6H2,1-4H3
InChIKeyYKEIMVPWDXPUSV-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.92
Rot. Bonds5

About N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 79096339) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID79096339
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C17H22BrNO/c1-5-13-7-8-16(20-13)17(19-6-2)14-9-12(4)15(18)10-11(14)3/h7-10,17,19H,5-6H2,1-4H3
InChIKeyYKEIMVPWDXPUSV-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 114249078
1-(4-chloro-2,5-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 79094310
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(4-bromo-2,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212882
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
CID 79084452
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103220364
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 79096339) is N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)o1)c1cc(C)c(Br)cc1C.
What is the InChIKey of N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is YKEIMVPWDXPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-5-13-7-8-16(20-13)17(19-6-2)14-9-12(4)15(18)10-11(14)3/h7-10,17,19H,5-6H2,1-4H3.
What are the key properties of N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 336.27 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 79096339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).