N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

C19H22ClNO — CID 10805319

IUPACN-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccc(Cl)cc1)CC(C)(C)O2
InChIInChI=1S/C19H22ClNO/c1-11-12(2)18-16(10-19(4,5)22-18)13(3)17(11)21-15-8-6-14(20)7-9-15/h6-9,21H,10H2,1-5H3
InChIKeyVEWZHRYSBQIIDU-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.72
Rot. Bonds2

About N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (PubChem CID 10805319) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
PubChem CID10805319
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccc(Cl)cc1)CC(C)(C)O2
InChIInChI=1S/C19H22ClNO/c1-11-12(2)18-16(10-19(4,5)22-18)13(3)17(11)21-15-8-6-14(20)7-9-15/h6-9,21H,10H2,1-5H3
InChIKeyVEWZHRYSBQIIDU-UHFFFAOYSA-N
XLogP5.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (CID 10805319) is N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1Nc1ccc(Cl)cc1)CC(C)(C)O2.
What is the InChIKey of N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The InChIKey is VEWZHRYSBQIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-11-12(2)18-16(10-19(4,5)22-18)13(3)17(11)21-15-8-6-14(20)7-9-15/h6-9,21H,10H2,1-5H3.
What are the key properties of N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine has a molecular weight of 315.84 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10805319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).