N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C16H16ClNO — CID 106700731

IUPACN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3
InChIKeyHIODIRPWLBQUFF-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.66
Rot. Bonds2

About N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106700731) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106700731
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3
InChIKeyHIODIRPWLBQUFF-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106700731) is N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is HIODIRPWLBQUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 273.76 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).