4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

C12H12FNO — CID 115749342

IUPAC4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3
InChIKeyPFEPJYGCXUTREO-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.34
Rot. Bonds3

About 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 115749342) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID115749342
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3
InChIKeyPFEPJYGCXUTREO-UHFFFAOYSA-N
XLogP3.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 115742858
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
N-[(3-methylfuran-2-yl)methyl]-4-nitroaniline
CID 113488635
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954
4-(difluoromethoxy)-3-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115743230
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
N,N-dimethyl-2-[4-[(3-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 115652552
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115652446
N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
CID 115652470
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (CID 115749342) is 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is Cc1ccoc1CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is PFEPJYGCXUTREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 205.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 115749342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).