4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine

C14H19ClFNS — CID 103047253

IUPAC4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H19ClFNS/c1-2-5-17-14-9-18-8-11(14)6-10-7-12(15)3-4-13(10)16/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyCWVRSIGZLIXOMD-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.75
Rot. Bonds5

About 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine

4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine (PubChem CID 103047253) has the molecular formula C14H19ClFNS and a molecular weight of 287.83 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
PubChem CID103047253
Molecular FormulaC14H19ClFNS
Molecular Weight287.83 g/mol
Exact Mass287.09
IUPAC Name4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H19ClFNS/c1-2-5-17-14-9-18-8-11(14)6-10-7-12(15)3-4-13(10)16/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyCWVRSIGZLIXOMD-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.75
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-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83196101
4-[(4-chloro-2-fluorophenyl)methyl]-N-ethylthiolan-3-amine
CID 114850813
2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 103047226
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
CID 83196318
4-[(4-chloro-2-fluorophenyl)methyl]thiolan-3-ol
CID 114857897
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-propylthiolan-3-amine
CID 83195582
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine (CID 103047253) is 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine is CCCNC1CSCC1Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
The InChIKey is CWVRSIGZLIXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS/c1-2-5-17-14-9-18-8-11(14)6-10-7-12(15)3-4-13(10)16/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine?
4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine has a molecular weight of 287.83 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine is sourced from PubChem (CID 103047253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).