[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine

C15H15F2NO2S — CID 64653492

IUPAC[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO2S/c1-20-14-5-2-10(8-18)6-11(14)9-21(19)15-7-12(16)3-4-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyHSTJVCMQYMZHOB-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.74
Rot. Bonds5

About [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine

[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine (PubChem CID 64653492) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
PubChem CID64653492
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO2S/c1-20-14-5-2-10(8-18)6-11(14)9-21(19)15-7-12(16)3-4-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyHSTJVCMQYMZHOB-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368
[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64659288
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
4-fluoro-2-[(2-methoxy-5-methylphenyl)methylsulfinyl]aniline
CID 81182817
3-[(2,5-difluorophenyl)sulfinylmethyl]-4-ethoxyaniline
CID 61288253
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
1-[3-[(2-fluorophenyl)sulfinylmethyl]-4-methoxyphenyl]-N-methylmethanamine
CID 64658336
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
3-bromo-4-[(2,5-difluorophenyl)sulfinylmethyl]aniline
CID 61289437
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81329209

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine (CID 64653492) is [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CS(=O)c1cc(F)ccc1F.
What is the InChIKey of [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The InChIKey is HSTJVCMQYMZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-20-14-5-2-10(8-18)6-11(14)9-21(19)15-7-12(16)3-4-13(15)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine has a molecular weight of 311.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64653492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).