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

C18H18FNO — CID 43666009

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
SMILESCCc1oc2ccccc2c1CNc1ccc(C)c(F)c1
InChIInChI=1S/C18H18FNO/c1-3-17-15(14-6-4-5-7-18(14)21-17)11-20-13-9-8-12(2)16(19)10-13/h4-10,20H,3,11H2,1-2H3
InChIKeyZRCAEVYSNSLAMP-UHFFFAOYSA-N
MW283.35 g/mol
LogP5.05
Rot. Bonds4

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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline (PubChem CID 43666009) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
PubChem CID43666009
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
SMILESCCc1oc2ccccc2c1CNc1ccc(C)c(F)c1
InChIInChI=1S/C18H18FNO/c1-3-17-15(14-6-4-5-7-18(14)21-17)11-20-13-9-8-12(2)16(19)10-13/h4-10,20H,3,11H2,1-2H3
InChIKeyZRCAEVYSNSLAMP-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
CID 43666012
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
CID 65491280
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-fluoro-4-methoxyaniline
CID 82764445
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline (CID 43666009) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline is CCc1oc2ccccc2c1CNc1ccc(C)c(F)c1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline?
The InChIKey is ZRCAEVYSNSLAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-17-15(14-6-4-5-7-18(14)21-17)11-20-13-9-8-12(2)16(19)10-13/h4-10,20H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline has a molecular weight of 283.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 43666009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).