1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

C15H23ClFNS — CID 112653767

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFNS/c1-4-18-13(10-19-9-11(2)3)8-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyGEBDNWQOVJBUMJ-UHFFFAOYSA-N
MW303.87 g/mol
LogP4.39
Rot. Bonds8

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 112653767) has the molecular formula C15H23ClFNS and a molecular weight of 303.87 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID112653767
Molecular FormulaC15H23ClFNS
Molecular Weight303.87 g/mol
Exact Mass303.12
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFNS/c1-4-18-13(10-19-9-11(2)3)8-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyGEBDNWQOVJBUMJ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178828
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 112653767) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is GEBDNWQOVJBUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNS/c1-4-18-13(10-19-9-11(2)3)8-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 303.87 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 112653767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).