1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine

C22H20N2O2 — CID 15258868

IUPAC1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine
SMILESNC1(c2ccc(C3(N)OCc4ccccc43)cc2)OCc2ccccc21
InChIInChI=1S/C22H20N2O2/c23-21(19-7-3-1-5-15(19)13-25-21)17-9-11-18(12-10-17)22(24)20-8-4-2-6-16(20)14-26-22/h1-12H,13-14,23-24H2
InChIKeyKVQHGGUHSZHTEI-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.07
Rot. Bonds2

About 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine

1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine (PubChem CID 15258868) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine.

Molecular Properties

Compound Name1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine
PubChem CID15258868
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine
SMILESNC1(c2ccc(C3(N)OCc4ccccc43)cc2)OCc2ccccc21
InChIInChI=1S/C22H20N2O2/c23-21(19-7-3-1-5-15(19)13-25-21)17-9-11-18(12-10-17)22(24)20-8-4-2-6-16(20)14-26-22/h1-12H,13-14,23-24H2
InChIKeyKVQHGGUHSZHTEI-UHFFFAOYSA-N
XLogP3.07
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3H-2-benzofuran-1-amine
CID 14064960
1-Phenyl-1,3-dihydronaphtho[2,3-c]furan-1-amine
CID 14064964
1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine
CID 101479607
Diphenyl(phenylmethoxy)methanamine
CID 18998120
Phenylmethoxy-(4-phenylphenyl)methanamine
CID 91483501
5-Methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole
CID 150453697
Bis(4-methylphenyl)-phenylmethoxymethanamine
CID 154384987
11-Oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-1,8-diamine
CID 164084122
1-phenyl-3H-benzo[e][2]benzoxol-1-amine
CID 14064974
[2-[4-(Cyclohexyloxymethyl)phenyl]phenyl]methanamine
CID 43825118
Bis(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 63731634

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine?
The IUPAC name of 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine (CID 15258868) is 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine.
What is the SMILES notation for 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine?
The canonical SMILES for 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine is NC1(c2ccc(C3(N)OCc4ccccc43)cc2)OCc2ccccc21.
What is the InChIKey of 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine?
The InChIKey is KVQHGGUHSZHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c23-21(19-7-3-1-5-15(19)13-25-21)17-9-11-18(12-10-17)22(24)20-8-4-2-6-16(20)14-26-22/h1-12H,13-14,23-24H2.
What are the key properties of 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine?
1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine has a molecular weight of 344.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine is sourced from PubChem (CID 15258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).