N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine

C15H22FNS — CID 80627878

IUPACN-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C1CCCS1
InChIInChI=1S/C15H22FNS/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h8-10,14-15,17H,3-7H2,1-2H3
InChIKeyDSBYBVGHZCBZAL-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine

N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 80627878) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
PubChem CID80627878
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C1CCCS1
InChIInChI=1S/C15H22FNS/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h8-10,14-15,17H,3-7H2,1-2H3
InChIKeyDSBYBVGHZCBZAL-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626640
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(4-tert-butylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626646
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627639
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
N-[thian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626465
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[(5-fluoro-1-benzofuran-2-yl)-(thian-2-yl)methyl]propan-1-amine
CID 114730343
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
N-[(3-fluoro-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387225

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine (CID 80627878) is N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)C1CCCS1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is DSBYBVGHZCBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h8-10,14-15,17H,3-7H2,1-2H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80627878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).