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

C12H12FNOS — CID 115791862

IUPAC(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cccc(F)c1
InChIInChI=1S/C12H12FNOS/c1-15-10-5-6-16-12(10)11(14)8-3-2-4-9(13)7-8/h2-7,11H,14H2,1H3
InChIKeyWJCAGVLBCSYLPZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.94
Rot. Bonds3

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

(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 115791862) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID115791862
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cccc(F)c1
InChIInChI=1S/C12H12FNOS/c1-15-10-5-6-16-12(10)11(14)8-3-2-4-9(13)7-8/h2-7,11H,14H2,1H3
InChIKeyWJCAGVLBCSYLPZ-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581
2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129535
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 81124104
2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 102622497
(3-fluorophenyl)-methoxymethanamine
CID 116947347
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine (CID 115791862) is (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is WJCAGVLBCSYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-15-10-5-6-16-12(10)11(14)8-3-2-4-9(13)7-8/h2-7,11H,14H2,1H3.
What are the key properties of (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine?
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 115791862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).