4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine

C14H20FNS — CID 83196101

IUPAC4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-2-7-16-14-10-17-9-12(14)8-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyUASPVZGPFWPXFI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.10
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine

4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine (PubChem CID 83196101) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
PubChem CID83196101
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-2-7-16-14-10-17-9-12(14)8-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyUASPVZGPFWPXFI-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83195690
4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 103047253
4-[(4-chloro-2-fluorophenyl)methyl]-N-ethylthiolan-3-amine
CID 114850813
N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
CID 83196512
4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
CID 83196318
4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
CID 83192078
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine (CID 83196101) is 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine is CCCNC1CSCC1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The InChIKey is UASPVZGPFWPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-2-7-16-14-10-17-9-12(14)8-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83196101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).