N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine

C16H20BrNO — CID 114543783

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1
InChIInChI=1S/C16H20BrNO/c1-10-3-5-14(7-10)18-11(2)16-9-12-8-13(17)4-6-15(12)19-16/h4,6,8-11,14,18H,3,5,7H2,1-2H3
InChIKeyDKBZRBOXYUONSX-UHFFFAOYSA-N
MW322.25 g/mol
LogP5.03
Rot. Bonds3

About N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 114543783) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID114543783
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1
InChIInChI=1S/C16H20BrNO/c1-10-3-5-14(7-10)18-11(2)16-9-12-8-13(17)4-6-15(12)19-16/h4,6,8-11,14,18H,3,5,7H2,1-2H3
InChIKeyDKBZRBOXYUONSX-UHFFFAOYSA-N
XLogP5.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine (CID 114543783) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is DKBZRBOXYUONSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-10-3-5-14(7-10)18-11(2)16-9-12-8-13(17)4-6-15(12)19-16/h4,6,8-11,14,18H,3,5,7H2,1-2H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 5.03, 3 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]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114543783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).