N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine

C17H21NS — CID 64619202

IUPACN-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H21NS/c1-3-18-17(15-9-7-8-14(2)12-15)13-19-16-10-5-4-6-11-16/h4-12,17-18H,3,13H2,1-2H3
InChIKeyYRKASUYJPHRRHZ-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.44
Rot. Bonds6

About N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine

N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine (PubChem CID 64619202) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
PubChem CID64619202
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H21NS/c1-3-18-17(15-9-7-8-14(2)12-15)13-19-16-10-5-4-6-11-16/h4-12,17-18H,3,13H2,1-2H3
InChIKeyYRKASUYJPHRRHZ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
CID 107784064
1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 65143565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine (CID 64619202) is N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine is CCNC(CSc1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine?
The InChIKey is YRKASUYJPHRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-18-17(15-9-7-8-14(2)12-15)13-19-16-10-5-4-6-11-16/h4-12,17-18H,3,13H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine?
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 64619202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).