1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C15H23ClFNS — CID 65131448

IUPAC1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNS/c1-4-8-18-12(10-19-11(2)3)9-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyMJLHIFXKQFPFGG-UHFFFAOYSA-N
MW303.87 g/mol
LogP4.53
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 65131448) has the molecular formula C15H23ClFNS and a molecular weight of 303.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID65131448
Molecular FormulaC15H23ClFNS
Molecular Weight303.87 g/mol
Exact Mass303.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNS/c1-4-8-18-12(10-19-11(2)3)9-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyMJLHIFXKQFPFGG-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 65131448) is 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is MJLHIFXKQFPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNS/c1-4-8-18-12(10-19-11(2)3)9-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 303.87 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 65131448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).