1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine

C16H20BrNO — CID 81287175

IUPAC1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCCc1cc(Br)ccc1-c1ccc(CC(C)NC)o1
InChIInChI=1S/C16H20BrNO/c1-4-12-10-13(17)5-7-15(12)16-8-6-14(19-16)9-11(2)18-3/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyZEVAJHNMGRDUFO-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.42
Rot. Bonds5

About 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 81287175) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID81287175
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCCc1cc(Br)ccc1-c1ccc(CC(C)NC)o1
InChIInChI=1S/C16H20BrNO/c1-4-12-10-13(17)5-7-15(12)16-8-6-14(19-16)9-11(2)18-3/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyZEVAJHNMGRDUFO-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 107626763
1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084095
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63084101
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
5-(4-bromo-2-ethylphenyl)-1,3-oxazole
CID 146035075

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine (CID 81287175) is 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine is CCc1cc(Br)ccc1-c1ccc(CC(C)NC)o1.
What is the InChIKey of 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is ZEVAJHNMGRDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-4-12-10-13(17)5-7-15(12)16-8-6-14(19-16)9-11(2)18-3/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 81287175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).