N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine

C16H15BrN2O — CID 106858308

IUPACN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1cccc2ncccc12
InChIInChI=1S/C16H15BrN2O/c1-2-18-15(13-8-10-20-16(13)17)12-5-3-7-14-11(12)6-4-9-19-14/h3-10,15,18H,2H2,1H3
InChIKeyWBAIWCHSMHHSJL-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.29
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine

N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine (PubChem CID 106858308) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
PubChem CID106858308
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1cccc2ncccc12
InChIInChI=1S/C16H15BrN2O/c1-2-18-15(13-8-10-20-16(13)17)12-5-3-7-14-11(12)6-4-9-19-14/h3-10,15,18H,2H2,1H3
InChIKeyWBAIWCHSMHHSJL-UHFFFAOYSA-N
XLogP4.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 106858306
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine (CID 106858308) is N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine is CCNC(c1ccoc1Br)c1cccc2ncccc12.
What is the InChIKey of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine?
The InChIKey is WBAIWCHSMHHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-18-15(13-8-10-20-16(13)17)12-5-3-7-14-11(12)6-4-9-19-14/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine?
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine has a molecular weight of 331.21 g/mol, XLogP of 4.29, 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)-quinolin-5-ylmethyl]ethanamine is sourced from PubChem (CID 106858308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).