N-ethyl-2-ethylsulfanyl-1-phenylethanamine

C12H19NS — CID 64613608

IUPACN-ethyl-2-ethylsulfanyl-1-phenylethanamine
SMILESCCNC(CSCC)c1ccccc1
InChIInChI=1S/C12H19NS/c1-3-13-12(10-14-4-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyHMGAFGCKMQJDLZ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.09
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-phenylethanamine

N-ethyl-2-ethylsulfanyl-1-phenylethanamine (PubChem CID 64613608) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-phenylethanamine
PubChem CID64613608
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-2-ethylsulfanyl-1-phenylethanamine
SMILESCCNC(CSCC)c1ccccc1
InChIInChI=1S/C12H19NS/c1-3-13-12(10-14-4-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyHMGAFGCKMQJDLZ-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64621974
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
CID 64631470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-phenylethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-phenylethanamine (CID 64613608) is N-ethyl-2-ethylsulfanyl-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-phenylethanamine is CCNC(CSCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-phenylethanamine?
The InChIKey is HMGAFGCKMQJDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-13-12(10-14-4-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-phenylethanamine?
N-ethyl-2-ethylsulfanyl-1-phenylethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-phenylethanamine is sourced from PubChem (CID 64613608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).