1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C16H20BrNO — CID 106857333

IUPAC1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccoc1Br
InChIInChI=1S/C16H20BrNO/c1-11(2)13-6-4-12(5-7-13)10-15(18-3)14-8-9-19-16(14)17/h4-9,11,15,18H,10H2,1-3H3
InChIKeyIYTVTCFTZHAUBV-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.67
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 106857333) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID106857333
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccoc1Br
InChIInChI=1S/C16H20BrNO/c1-11(2)13-6-4-12(5-7-13)10-15(18-3)14-8-9-19-16(14)17/h4-9,11,15,18H,10H2,1-3H3
InChIKeyIYTVTCFTZHAUBV-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413775
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 106858959
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 106859953

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 106857333) is 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is IYTVTCFTZHAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-11(2)13-6-4-12(5-7-13)10-15(18-3)14-8-9-19-16(14)17/h4-9,11,15,18H,10H2,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 106857333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).