N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C18H20FNO — CID 106700773

IUPACN-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-12(13-8-10-14(19)11-9-13)20-17-15-6-4-5-7-16(15)21-18(17,2)3/h4-12,17,20H,1-3H3
InChIKeyLQSHGLPSMABCPY-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106700773) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106700773
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-12(13-8-10-14(19)11-9-13)20-17-15-6-4-5-7-16(15)21-18(17,2)3/h4-12,17,20H,1-3H3
InChIKeyLQSHGLPSMABCPY-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
CID 106700774
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701249
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701159

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106700773) is N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is CC(NC1c2ccccc2OC1(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is LQSHGLPSMABCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(13-8-10-14(19)11-9-13)20-17-15-6-4-5-7-16(15)21-18(17,2)3/h4-12,17,20H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 285.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).