N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine

C17H20BrNO2 — CID 107293705

IUPACN-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)c1ccoc1Br
InChIInChI=1S/C17H20BrNO2/c1-4-19-15(12-7-8-20-16(12)18)11-5-6-14-13(9-11)17(2,3)10-21-14/h5-9,15,19H,4,10H2,1-3H3
InChIKeyDPSTZEOBGSMAKV-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.41
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 107293705) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID107293705
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)c1ccoc1Br
InChIInChI=1S/C17H20BrNO2/c1-4-19-15(12-7-8-20-16(12)18)11-5-6-14-13(9-11)17(2,3)10-21-14/h5-9,15,19H,4,10H2,1-3H3
InChIKeyDPSTZEOBGSMAKV-UHFFFAOYSA-N
XLogP4.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 107293623
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107293748
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine (CID 107293705) is N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)C(C)(C)CO2)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is DPSTZEOBGSMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19-15(12-7-8-20-16(12)18)11-5-6-14-13(9-11)17(2,3)10-21-14/h5-9,15,19H,4,10H2,1-3H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 107293705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).