5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine

C23H17NO — CID 126550540

IUPAC5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESCc1c(Nc2ccccc2)c2oc3ccccc3c2c2ccccc12
InChIInChI=1S/C23H17NO/c1-15-17-11-5-6-12-18(17)21-19-13-7-8-14-20(19)25-23(21)22(15)24-16-9-3-2-4-10-16/h2-14,24H,1H3
InChIKeyFRQXRAPJXGTEMN-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.79
Rot. Bonds2

About 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine

5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 126550540) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
PubChem CID126550540
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESCc1c(Nc2ccccc2)c2oc3ccccc3c2c2ccccc12
InChIInChI=1S/C23H17NO/c1-15-17-11-5-6-12-18(17)21-19-13-7-8-14-20(19)25-23(21)22(15)24-16-9-3-2-4-10-16/h2-14,24H,1H3
InChIKeyFRQXRAPJXGTEMN-UHFFFAOYSA-N
XLogP6.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide
CID 163450717
1-methyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140827754
4-anilino-3-phenylchromen-2-one
CID 2785512
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
2-anilinochromen-4-one
CID 10823780
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
5-(3-methyl-1-benzofuran-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 155486329
3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
CID 167687599
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine (CID 126550540) is 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine is Cc1c(Nc2ccccc2)c2oc3ccccc3c2c2ccccc12.
What is the InChIKey of 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is FRQXRAPJXGTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-15-17-11-5-6-12-18(17)21-19-13-7-8-14-20(19)25-23(21)22(15)24-16-9-3-2-4-10-16/h2-14,24H,1H3.
What are the key properties of 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 323.40 g/mol, XLogP of 6.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 126550540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).