1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

C14H17F2NO — CID 65441173

IUPAC1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2ccc(F)c(F)c2o1)C(C)C
InChIInChI=1S/C14H17F2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3
InChIKeySFLZFWXWWPVKJN-UHFFFAOYSA-N
MW253.29 g/mol
LogP4.02
Rot. Bonds4

About 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 65441173) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID65441173
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2ccc(F)c(F)c2o1)C(C)C
InChIInChI=1S/C14H17F2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3
InChIKeySFLZFWXWWPVKJN-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 102990713
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(6,7-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440612
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440774
1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65441126
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439618
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 65441173) is 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc2ccc(F)c(F)c2o1)C(C)C.
What is the InChIKey of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is SFLZFWXWWPVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3.
What are the key properties of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 65441173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).