1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine

C17H24FNO — CID 105047391

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)C(C)C(C)C
InChIInChI=1S/C17H24FNO/c1-5-9-19-16(12(4)11(2)3)15-10-13-7-6-8-14(18)17(13)20-15/h6-8,10-12,16,19H,5,9H2,1-4H3
InChIKeyTXTZFDMTCBPGBU-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.90
Rot. Bonds6

About 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 105047391) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID105047391
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)C(C)C(C)C
InChIInChI=1S/C17H24FNO/c1-5-9-19-16(12(4)11(2)3)15-10-13-7-6-8-14(18)17(13)20-15/h6-8,10-12,16,19H,5,9H2,1-4H3
InChIKeyTXTZFDMTCBPGBU-UHFFFAOYSA-N
XLogP4.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine (CID 105047391) is 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1cc2cccc(F)c2o1)C(C)C(C)C.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is TXTZFDMTCBPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-5-9-19-16(12(4)11(2)3)15-10-13-7-6-8-14(18)17(13)20-15/h6-8,10-12,16,19H,5,9H2,1-4H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105047391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).