1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine

C15H22FNS — CID 105095850

IUPAC1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)CC1CCSCC1
InChIInChI=1S/C15H22FNS/c1-17-15(10-12-5-7-18-8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15,17H,5-8,10-11H2,1H3
InChIKeyDRZYFNYYFOZEJR-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.49
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine

1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105095850) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
PubChem CID105095850
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)CC1CCSCC1
InChIInChI=1S/C15H22FNS/c1-17-15(10-12-5-7-18-8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15,17H,5-8,10-11H2,1H3
InChIKeyDRZYFNYYFOZEJR-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105085436
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
1-(3-bromo-2,6-difluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 106274149
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene
CID 63015907

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine (CID 105095850) is 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine is CNC(Cc1cccc(F)c1)CC1CCSCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is DRZYFNYYFOZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-17-15(10-12-5-7-18-8-6-12)11-13-3-2-4-14(16)9-13/h2-4,9,12,15,17H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105095850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).