N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine

C16H22BrNO — CID 43371885

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H22BrNO/c1-10(2)7-11(3)18-12(4)16-9-13-8-14(17)5-6-15(13)19-16/h5-6,8-12,18H,7H2,1-4H3
InChIKeyKFLQZPAMZNRLLE-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.28
Rot. Bonds5

About N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine (PubChem CID 43371885) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
PubChem CID43371885
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H22BrNO/c1-10(2)7-11(3)18-12(4)16-9-13-8-14(17)5-6-15(13)19-16/h5-6,8-12,18H,7H2,1-4H3
InChIKeyKFLQZPAMZNRLLE-UHFFFAOYSA-N
XLogP5.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]but-3-yn-2-amine
CID 114414981
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749723
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392904
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine (CID 43371885) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine is CC(C)CC(C)NC(C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine?
The InChIKey is KFLQZPAMZNRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-10(2)7-11(3)18-12(4)16-9-13-8-14(17)5-6-15(13)19-16/h5-6,8-12,18H,7H2,1-4H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine has a molecular weight of 324.26 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43371885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).