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

C16H18BrNO2 — CID 106851654

IUPACN-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CC(C)O2)c1ccoc1Br
InChIInChI=1S/C16H18BrNO2/c1-3-18-15(13-6-7-19-16(13)17)11-4-5-14-12(9-11)8-10(2)20-14/h4-7,9-10,15,18H,3,8H2,1-2H3
InChIKeyQCGWDDFXKHIYCV-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.06
Rot. Bonds4

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

N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 106851654) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID106851654
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CC(C)O2)c1ccoc1Br
InChIInChI=1S/C16H18BrNO2/c1-3-18-15(13-6-7-19-16(13)17)11-4-5-14-12(9-11)8-10(2)20-14/h4-7,9-10,15,18H,3,8H2,1-2H3
InChIKeyQCGWDDFXKHIYCV-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820033
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293705
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (CID 106851654) is N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CC(C)O2)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is QCGWDDFXKHIYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-18-15(13-6-7-19-16(13)17)11-4-5-14-12(9-11)8-10(2)20-14/h4-7,9-10,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 336.23 g/mol, XLogP of 4.06, 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)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 106851654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).