N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine

C15H18BrNO — CID 43223765

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H18BrNO/c1-3-12-4-6-13(7-5-12)11(2)17-10-14-8-9-15(16)18-14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyDPEFXZAAYIVOOR-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.46
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine

N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 43223765) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID43223765
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H18BrNO/c1-3-12-4-6-13(7-5-12)11(2)17-10-14-8-9-15(16)18-14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyDPEFXZAAYIVOOR-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine (CID 43223765) is N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCc2ccc(Br)o2)cc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is DPEFXZAAYIVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-12-4-6-13(7-5-12)11(2)17-10-14-8-9-15(16)18-14/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 43223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).