(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine

C12H12FNO — CID 104804536

IUPAC(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cccc(F)c1
InChIInChI=1S/C12H12FNO/c1-8-5-6-15-12(8)11(14)9-3-2-4-10(13)7-9/h2-7,11H,14H2,1H3
InChIKeyYRSSAGKLJFTKPE-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.78
Rot. Bonds2

About (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine

(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine (PubChem CID 104804536) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine
PubChem CID104804536
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cccc(F)c1
InChIInChI=1S/C12H12FNO/c1-8-5-6-15-12(8)11(14)9-3-2-4-10(13)7-9/h2-7,11H,14H2,1H3
InChIKeyYRSSAGKLJFTKPE-UHFFFAOYSA-N
XLogP2.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
[(3-fluorophenyl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269411
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
CID 164552922
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(3-methylfuran-2-yl)-(4-propylphenyl)methanamine
CID 43464290
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine (CID 104804536) is (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is YRSSAGKLJFTKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-5-6-15-12(8)11(14)9-3-2-4-10(13)7-9/h2-7,11H,14H2,1H3.
What are the key properties of (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine?
(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 205.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104804536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).