1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

C14H17ClFNO — CID 116690977

IUPAC1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2ccc(Cl)c(F)c2o1)C(C)(C)C
InChIInChI=1S/C14H17ClFNO/c1-14(2,3)13(17-4)10-7-8-5-6-9(15)11(16)12(8)18-10/h5-7,13,17H,1-4H3
InChIKeyPKJPJMHSWQBELI-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.53
Rot. Bonds2

About 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 116690977) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID116690977
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2ccc(Cl)c(F)c2o1)C(C)(C)C
InChIInChI=1S/C14H17ClFNO/c1-14(2,3)13(17-4)10-7-8-5-6-9(15)11(16)12(8)18-10/h5-7,13,17H,1-4H3
InChIKeyPKJPJMHSWQBELI-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)ethanol
CID 116690892
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65440627
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 107662182
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440238
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114731348

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (CID 116690977) is 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc2ccc(Cl)c(F)c2o1)C(C)(C)C.
What is the InChIKey of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is PKJPJMHSWQBELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-14(2,3)13(17-4)10-7-8-5-6-9(15)11(16)12(8)18-10/h5-7,13,17H,1-4H3.
What are the key properties of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 269.75 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 116690977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).