N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C23H17NO — CID 126559839

IUPACN-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCc1cccc(Nc2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C23H17NO/c1-15-6-4-8-17(14-15)24-21-11-5-10-19-20-13-12-16-7-2-3-9-18(16)22(20)25-23(19)21/h2-14,24H,1H3
InChIKeyHPRLJCOJLDDYGD-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.79
Rot. Bonds2

About N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 126559839) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID126559839
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC NameN-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCc1cccc(Nc2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C23H17NO/c1-15-6-4-8-17(14-15)24-21-11-5-10-19-20-13-12-16-7-2-3-9-18(16)22(20)25-23(19)21/h2-14,24H,1H3
InChIKeyHPRLJCOJLDDYGD-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 126559839) is N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is Cc1cccc(Nc2cccc3c2oc2c4ccccc4ccc32)c1.
What is the InChIKey of N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is HPRLJCOJLDDYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-15-6-4-8-17(14-15)24-21-11-5-10-19-20-13-12-16-7-2-3-9-18(16)22(20)25-23(19)21/h2-14,24H,1H3.
What are the key properties of N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-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 N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 126559839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).