N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine

C13H14ClNO — CID 117174185

IUPACN-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
SMILESClc1ccc2occ(CNC3CCC3)c2c1
InChIInChI=1S/C13H14ClNO/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15H,1-3,7H2
InChIKeyQAKAALFAURJXIY-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.73
Rot. Bonds3

About N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine

N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine (PubChem CID 117174185) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
PubChem CID117174185
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC NameN-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
SMILESClc1ccc2occ(CNC3CCC3)c2c1
InChIInChI=1S/C13H14ClNO/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15H,1-3,7H2
InChIKeyQAKAALFAURJXIY-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
5-chloro-3-(methoxymethyl)-1-benzofuran
CID 117174343
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
CID 117170251
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine (CID 117174185) is N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine is Clc1ccc2occ(CNC3CCC3)c2c1.
What is the InChIKey of N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine?
The InChIKey is QAKAALFAURJXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15H,1-3,7H2.
What are the key properties of N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine?
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine has a molecular weight of 235.71 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).