(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine

C17H16ClNO — CID 43826510

IUPAC(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
SMILESCCc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H16ClNO/c1-2-11-3-8-15-13(9-11)10-16(20-15)17(19)12-4-6-14(18)7-5-12/h3-10,17H,2,19H2,1H3
InChIKeyWDWHOOIAMFEFFV-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.70
Rot. Bonds3

About (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine

(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine (PubChem CID 43826510) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
PubChem CID43826510
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
SMILESCCc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H16ClNO/c1-2-11-3-8-15-13(9-11)10-16(20-15)17(19)12-4-6-14(18)7-5-12/h3-10,17H,2,19H2,1H3
InChIKeyWDWHOOIAMFEFFV-UHFFFAOYSA-N
XLogP4.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756
1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65441154
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
CID 114082945
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine (CID 43826510) is (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine is CCc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine?
The InChIKey is WDWHOOIAMFEFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-11-3-8-15-13(9-11)10-16(20-15)17(19)12-4-6-14(18)7-5-12/h3-10,17H,2,19H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine?
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine has a molecular weight of 285.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 43826510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).