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

C14H17ClFNO — CID 116690983

IUPAC1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2ccc(Cl)c(F)c2o1
InChIInChI=1S/C14H17ClFNO/c1-3-7-17-11(4-2)12-8-9-5-6-10(15)13(16)14(9)18-12/h5-6,8,11,17H,3-4,7H2,1-2H3
InChIKeyPKHOQLIDHWEPIW-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.68
Rot. Bonds5

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

1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 116690983) 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-propylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID116690983
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2ccc(Cl)c(F)c2o1
InChIInChI=1S/C14H17ClFNO/c1-3-7-17-11(4-2)12-8-9-5-6-10(15)13(16)14(9)18-12/h5-6,8,11,17H,3-4,7H2,1-2H3
InChIKeyPKHOQLIDHWEPIW-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.68
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-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)ethanol
CID 116690892
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 116690977
N-[1-(7-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114728334
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 116690983) is 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cc2ccc(Cl)c(F)c2o1.
What is the InChIKey of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is PKHOQLIDHWEPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-3-7-17-11(4-2)12-8-9-5-6-10(15)13(16)14(9)18-12/h5-6,8,11,17H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 269.75 g/mol, XLogP of 4.68, 5 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-propylpropan-1-amine is sourced from PubChem (CID 116690983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).