[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine

C15H20ClNO — CID 117418812

IUPAC[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
SMILESCC1(C)Cc2cc(Cl)cc(C3(CN)CCC3)c2O1
InChIInChI=1S/C15H20ClNO/c1-14(2)8-10-6-11(16)7-12(13(10)18-14)15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3
InChIKeyBBOGTXVPRAVMAB-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.43
Rot. Bonds2

About [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine

[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine (PubChem CID 117418812) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
PubChem CID117418812
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
SMILESCC1(C)Cc2cc(Cl)cc(C3(CN)CCC3)c2O1
InChIInChI=1S/C15H20ClNO/c1-14(2)8-10-6-11(16)7-12(13(10)18-14)15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3
InChIKeyBBOGTXVPRAVMAB-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
CID 117382918
7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
CID 117402987
5-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117414117
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
CID 117321165
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
CID 145039185
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
CID 87389172

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine (CID 117418812) is [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine is CC1(C)Cc2cc(Cl)cc(C3(CN)CCC3)c2O1.
What is the InChIKey of [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine?
The InChIKey is BBOGTXVPRAVMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-14(2)8-10-6-11(16)7-12(13(10)18-14)15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3.
What are the key properties of [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine?
[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine has a molecular weight of 265.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117418812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).