N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C16H20BrNO — CID 65308243

IUPACN-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(Br)ccc1C
InChIInChI=1S/C16H20BrNO/c1-4-13-8-9-15(19-13)16(18-5-2)14-10-12(17)7-6-11(14)3/h6-10,16,18H,4-5H2,1-3H3
InChIKeyKNKOANXCFVUGHG-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.61
Rot. Bonds5

About N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 65308243) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID65308243
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(Br)ccc1C
InChIInChI=1S/C16H20BrNO/c1-4-13-8-9-15(19-13)16(18-5-2)14-10-12(17)7-6-11(14)3/h6-10,16,18H,4-5H2,1-3H3
InChIKeyKNKOANXCFVUGHG-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79096339
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 114249078
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
1-(5-ethylfuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63048430
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 65308243) is N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)o1)c1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is KNKOANXCFVUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-4-13-8-9-15(19-13)16(18-5-2)14-10-12(17)7-6-11(14)3/h6-10,16,18H,4-5H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65308243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).