(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine

C18H16ClNO — CID 63488725

IUPAC(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)cc(-c3ccccc3)cc2c1C1CC1
InChIInChI=1S/C18H16ClNO/c19-15-9-13(11-4-2-1-3-5-11)8-14-17(12-6-7-12)16(10-20)21-18(14)15/h1-5,8-9,12H,6-7,10,20H2
InChIKeyVMACQVXBVBJWII-UHFFFAOYSA-N
MW297.78 g/mol
LogP5.09
Rot. Bonds3

About (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine

(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine (PubChem CID 63488725) has the molecular formula C18H16ClNO and a molecular weight of 297.78 g/mol. Its IUPAC name is (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
PubChem CID63488725
Molecular FormulaC18H16ClNO
Molecular Weight297.78 g/mol
Exact Mass297.09
IUPAC Name(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)cc(-c3ccccc3)cc2c1C1CC1
InChIInChI=1S/C18H16ClNO/c19-15-9-13(11-4-2-1-3-5-11)8-14-17(12-6-7-12)16(10-20)21-18(14)15/h1-5,8-9,12H,6-7,10,20H2
InChIKeyVMACQVXBVBJWII-UHFFFAOYSA-N
XLogP5.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.78
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114375491
(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377426
(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377361
N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377233
N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440163
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428
7-chloro-3-methyl-5-phenyl-1-benzofuran
CID 114722792
1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
CID 139710983
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354
4,5,7-trichloro-3-phenyl-1-benzofuran-2-carbonitrile
CID 63487526
(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049172
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine (CID 63488725) is (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine is NCc1oc2c(Cl)cc(-c3ccccc3)cc2c1C1CC1.
What is the InChIKey of (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine?
The InChIKey is VMACQVXBVBJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-15-9-13(11-4-2-1-3-5-11)8-14-17(12-6-7-12)16(10-20)21-18(14)15/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine?
(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine has a molecular weight of 297.78 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63488725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).