2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine

C17H18FNO — CID 70639197

IUPAC2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine
SMILESCN(C)C1(C)C=c2cc(-c3ccc(F)cc3)oc2=CC1
InChIInChI=1S/C17H18FNO/c1-17(19(2)3)9-8-15-13(11-17)10-16(20-15)12-4-6-14(18)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyVVMXCETYCHXAQM-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine

2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine (PubChem CID 70639197) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine
PubChem CID70639197
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine
SMILESCN(C)C1(C)C=c2cc(-c3ccc(F)cc3)oc2=CC1
InChIInChI=1S/C17H18FNO/c1-17(19(2)3)9-8-15-13(11-17)10-16(20-15)12-4-6-14(18)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyVVMXCETYCHXAQM-UHFFFAOYSA-N
XLogP2.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine (CID 70639197) is 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine is CN(C)C1(C)C=c2cc(-c3ccc(F)cc3)oc2=CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine?
The InChIKey is VVMXCETYCHXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(19(2)3)9-8-15-13(11-17)10-16(20-15)12-4-6-14(18)7-5-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine?
2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine has a molecular weight of 271.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine is sourced from PubChem (CID 70639197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).