4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline

C17H16FNO — CID 43762928

IUPAC4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
SMILESCc1c(C(C)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C17H16FNO/c1-11-15-5-3-4-6-16(15)20-17(11)12(2)19-14-9-7-13(18)8-10-14/h3-10,12,19H,1-2H3
InChIKeyUZALXJIKPRYIOJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP5.05
Rot. Bonds3

About 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline

4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline (PubChem CID 43762928) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
PubChem CID43762928
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
SMILESCc1c(C(C)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C17H16FNO/c1-11-15-5-3-4-6-16(15)20-17(11)12(2)19-14-9-7-13(18)8-10-14/h3-10,12,19H,1-2H3
InChIKeyUZALXJIKPRYIOJ-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.32
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762035
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
CID 43777165
3-bromo-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 107629648
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
4-chloro-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43766524
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline (CID 43762928) is 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline is Cc1c(C(C)Nc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The InChIKey is UZALXJIKPRYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11-15-5-3-4-6-16(15)20-17(11)12(2)19-14-9-7-13(18)8-10-14/h3-10,12,19H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline has a molecular weight of 269.32 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43762928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).