[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine

C14H18BrN — CID 117449610

IUPAC[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2cc(Br)c3c(c2)CCC3)CCC1
InChIInChI=1S/C14H18BrN/c15-13-8-11(14(9-16)5-2-6-14)7-10-3-1-4-12(10)13/h7-8H,1-6,9,16H2
InChIKeyVCGNUUOXOUAENH-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.32
Rot. Bonds2

About [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine

[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine (PubChem CID 117449610) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
PubChem CID117449610
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2cc(Br)c3c(c2)CCC3)CCC1
InChIInChI=1S/C14H18BrN/c15-13-8-11(14(9-16)5-2-6-14)7-10-3-1-4-12(10)13/h7-8H,1-6,9,16H2
InChIKeyVCGNUUOXOUAENH-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)butanal
CID 117421033

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine (CID 117449610) is [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine is NCC1(c2cc(Br)c3c(c2)CCC3)CCC1.
What is the InChIKey of [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The InChIKey is VCGNUUOXOUAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-8-11(14(9-16)5-2-6-14)7-10-3-1-4-12(10)13/h7-8H,1-6,9,16H2.
What are the key properties of [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine has a molecular weight of 280.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117449610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).