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

C18H24BrNO — CID 64922129

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1C
InChIInChI=1S/C18H24BrNO/c1-4-13-5-7-16(11(13)2)20-12(3)18-10-14-9-15(19)6-8-17(14)21-18/h6,8-13,16,20H,4-5,7H2,1-3H3
InChIKeyXFTIOAQNEHCWPK-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.67
Rot. Bonds4

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

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64922129) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64922129
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1C
InChIInChI=1S/C18H24BrNO/c1-4-13-5-7-16(11(13)2)20-12(3)18-10-14-9-15(19)6-8-17(14)21-18/h6,8-13,16,20H,4-5,7H2,1-3H3
InChIKeyXFTIOAQNEHCWPK-UHFFFAOYSA-N
XLogP5.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.67
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-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64922129) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2cc3cc(Br)ccc3o2)C1C.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is XFTIOAQNEHCWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-4-13-5-7-16(11(13)2)20-12(3)18-10-14-9-15(19)6-8-17(14)21-18/h6,8-13,16,20H,4-5,7H2,1-3H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 5.67, 4 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-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64922129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).