1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

C14H17BrN2O — CID 106854815

IUPAC1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccoc1Br)C(C)c1ccncc1
InChIInChI=1S/C14H17BrN2O/c1-3-17-13(12-6-9-18-14(12)15)10(2)11-4-7-16-8-5-11/h4-10,13,17H,3H2,1-2H3
InChIKeyFGELKTCOTLQHAU-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 106854815) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
PubChem CID106854815
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccoc1Br)C(C)c1ccncc1
InChIInChI=1S/C14H17BrN2O/c1-3-17-13(12-6-9-18-14(12)15)10(2)11-4-7-16-8-5-11/h4-10,13,17H,3H2,1-2H3
InChIKeyFGELKTCOTLQHAU-UHFFFAOYSA-N
XLogP3.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(1-benzothiophen-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446000
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446195
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (CID 106854815) is 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is CCNC(c1ccoc1Br)C(C)c1ccncc1.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is FGELKTCOTLQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-17-13(12-6-9-18-14(12)15)10(2)11-4-7-16-8-5-11/h4-10,13,17H,3H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 106854815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).