N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C17H17F2NO — CID 106701067

IUPACN-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-17(2)16(12-5-3-4-6-15(12)21-17)20-10-11-7-8-13(18)14(19)9-11/h3-9,16,20H,10H2,1-2H3
InChIKeyLBHDEAUINJIXKF-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.97
Rot. Bonds3

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

N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701067) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701067
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-17(2)16(12-5-3-4-6-15(12)21-17)20-10-11-7-8-13(18)14(19)9-11/h3-9,16,20H,10H2,1-2H3
InChIKeyLBHDEAUINJIXKF-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701159
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701083
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701041
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
CID 106290183
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701037
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701067) is N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is LBHDEAUINJIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-17(2)16(12-5-3-4-6-15(12)21-17)20-10-11-7-8-13(18)14(19)9-11/h3-9,16,20H,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 289.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).