1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine

C15H22FNS — CID 107131508

IUPAC1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-11(2)15(13-3-5-14(16)6-4-13)17-9-12-7-8-18-10-12/h3-6,11-12,15,17H,7-10H2,1-2H3
InChIKeyUWGGGQVXLDMMTI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 107131508) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID107131508
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-11(2)15(13-3-5-14(16)6-4-13)17-9-12-7-8-18-10-12/h3-6,11-12,15,17H,7-10H2,1-2H3
InChIKeyUWGGGQVXLDMMTI-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823
1-(4-nitrophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295342
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131528
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165903
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine (CID 107131508) is 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine is CC(C)C(NCC1CCSC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is UWGGGQVXLDMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-11(2)15(13-3-5-14(16)6-4-13)17-9-12-7-8-18-10-12/h3-6,11-12,15,17H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 107131508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).