[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine

C15H20BrNO — CID 117495126

IUPAC[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
SMILESCOc1c(C2(CN)CCC2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-18-14-12(15(9-17)6-3-7-15)8-10-4-2-5-11(10)13(14)16/h8H,2-7,9,17H2,1H3
InChIKeyMPLWLUPOYQBSEC-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.33
Rot. Bonds3

About [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine

[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine (PubChem CID 117495126) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
PubChem CID117495126
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
SMILESCOc1c(C2(CN)CCC2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-18-14-12(15(9-17)6-3-7-15)8-10-4-2-5-11(10)13(14)16/h8H,2-7,9,17H2,1H3
InChIKeyMPLWLUPOYQBSEC-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
CID 117495064
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117449610
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine (CID 117495126) is [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine is COc1c(C2(CN)CCC2)cc2c(c1Br)CCC2.
What is the InChIKey of [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
The InChIKey is MPLWLUPOYQBSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-14-12(15(9-17)6-3-7-15)8-10-4-2-5-11(10)13(14)16/h8H,2-7,9,17H2,1H3.
What are the key properties of [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine?
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine has a molecular weight of 310.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117495126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).