[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine

C14H16BrNO — CID 117474516

IUPAC[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
SMILESNCC1(c2cccc3c(Br)coc23)CCCC1
InChIInChI=1S/C14H16BrNO/c15-12-8-17-13-10(12)4-3-5-11(13)14(9-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2
InChIKeyRBEWCECXXCSJJI-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.97
Rot. Bonds2

About [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine

[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine (PubChem CID 117474516) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
PubChem CID117474516
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
SMILESNCC1(c2cccc3c(Br)coc23)CCCC1
InChIInChI=1S/C14H16BrNO/c15-12-8-17-13-10(12)4-3-5-11(13)14(9-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2
InChIKeyRBEWCECXXCSJJI-UHFFFAOYSA-N
XLogP3.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine
CID 117449463
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
CID 82501566
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine
CID 84804892

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine (CID 117474516) is [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine is NCC1(c2cccc3c(Br)coc23)CCCC1.
What is the InChIKey of [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine?
The InChIKey is RBEWCECXXCSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-12-8-17-13-10(12)4-3-5-11(13)14(9-16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2.
What are the key properties of [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine?
[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine has a molecular weight of 294.19 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117474516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).