N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine

C17H22BrNO — CID 43734675

IUPACN-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCc1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H22BrNO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3
InChIKeyOBXMMYGFRKTOKO-UHFFFAOYSA-N
MW336.27 g/mol
LogP5.31
Rot. Bonds7

About N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine

N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine (PubChem CID 43734675) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
PubChem CID43734675
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCc1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H22BrNO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3
InChIKeyOBXMMYGFRKTOKO-UHFFFAOYSA-N
XLogP5.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1-phenylbutan-1-amine
CID 63445722
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
CID 43688626
2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
CID 82344547
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
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]-2-ethyl-1-phenylbutan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine (CID 43734675) is N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine is CCC(CC)C(NCc1ccc(Br)o1)c1ccccc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine?
The InChIKey is OBXMMYGFRKTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine has a molecular weight of 336.27 g/mol, XLogP of 5.31, 7 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]-2-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43734675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).