N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

C15H20BrNOS — CID 104756373

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H20BrNOS/c1-19-14-4-2-3-13(14)17-9-11-8-12(16)7-10-5-6-18-15(10)11/h7-8,13-14,17H,2-6,9H2,1H3
InChIKeyWXZXXZMONSHJCU-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.76
Rot. Bonds4

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 104756373) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID104756373
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H20BrNOS/c1-19-14-4-2-3-13(14)17-9-11-8-12(16)7-10-5-6-18-15(10)11/h7-8,13-14,17H,2-6,9H2,1H3
InChIKeyWXZXXZMONSHJCU-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
CID 104756185
2-(aminomethyl)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclohexan-1-amine
CID 104702080
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104755557
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113449648
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 104702727
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104702264
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106010417
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365169
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolane-3-carboxamide
CID 104702859
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(5-methyloxolan-2-yl)methanamine
CID 104702213

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 104756373) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1cc(Br)cc2c1OCC2.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is WXZXXZMONSHJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-19-14-4-2-3-13(14)17-9-11-8-12(16)7-10-5-6-18-15(10)11/h7-8,13-14,17H,2-6,9H2,1H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 104756373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).