N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine

C17H20ClNS — CID 43103247

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNS/c1-13(15-5-9-17(20-2)10-6-15)19-12-11-14-3-7-16(18)8-4-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyCPQBFYKHLBQELF-UHFFFAOYSA-N
MW305.87 g/mol
LogP4.96
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 43103247) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID43103247
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNS/c1-13(15-5-9-17(20-2)10-6-15)19-12-11-14-3-7-16(18)8-4-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyCPQBFYKHLBQELF-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63645700
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 55261999
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 43103247) is N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(C)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is CPQBFYKHLBQELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-13(15-5-9-17(20-2)10-6-15)19-12-11-14-3-7-16(18)8-4-14/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 305.87 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43103247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).