(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine

C13H14ClNO — CID 114728828

IUPAC(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)C1CCC1
InChIInChI=1S/C13H14ClNO/c14-10-6-2-5-9-7-11(16-13(9)10)12(15)8-3-1-4-8/h2,5-8,12H,1,3-4,15H2
InChIKeyIRGLZDWUYQXQIY-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.89
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine

(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine (PubChem CID 114728828) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
PubChem CID114728828
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)C1CCC1
InChIInChI=1S/C13H14ClNO/c14-10-6-2-5-9-7-11(16-13(9)10)12(15)8-3-1-4-8/h2,5-8,12H,1,3-4,15H2
InChIKeyIRGLZDWUYQXQIY-UHFFFAOYSA-N
XLogP3.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837587
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine
CID 81433119
(7-chloro-1-benzofuran-2-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114729902
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine (CID 114728828) is (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine is NC(c1cc2cccc(Cl)c2o1)C1CCC1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine?
The InChIKey is IRGLZDWUYQXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-10-6-2-5-9-7-11(16-13(9)10)12(15)8-3-1-4-8/h2,5-8,12H,1,3-4,15H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine?
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine is sourced from PubChem (CID 114728828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).