N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine

C15H22FNOS — CID 82768915

IUPACN-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C1CCCS1
InChIInChI=1S/C15H22FNOS/c1-3-8-17-15(14-5-4-9-19-14)12-10-11(16)6-7-13(12)18-2/h6-7,10,14-15,17H,3-5,8-9H2,1-2H3
InChIKeyYQYFAZDCJDZPKW-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.77
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine

N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 82768915) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
PubChem CID82768915
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C1CCCS1
InChIInChI=1S/C15H22FNOS/c1-3-8-17-15(14-5-4-9-19-14)12-10-11(16)6-7-13(12)18-2/h6-7,10,14-15,17H,3-5,8-9H2,1-2H3
InChIKeyYQYFAZDCJDZPKW-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306
N-[(2,5-dimethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627902
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-2-yl)methyl]propan-1-amine
CID 104660569
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
N-[(2,3-difluorophenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626413
N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627878
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine (CID 82768915) is N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1OC)C1CCCS1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is YQYFAZDCJDZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-3-8-17-15(14-5-4-9-19-14)12-10-11(16)6-7-13(12)18-2/h6-7,10,14-15,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).