N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine

C17H21NOS — CID 64658277

IUPACN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18-17(15-7-5-4-6-8-15)13-20(19)16-11-9-14(2)10-12-16/h4-12,17-18H,3,13H2,1-2H3
InChIKeyGMDUJTJZKAYCFV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine

N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine (PubChem CID 64658277) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
PubChem CID64658277
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18-17(15-7-5-4-6-8-15)13-20(19)16-11-9-14(2)10-12-16/h4-12,17-18H,3,13H2,1-2H3
InChIKeyGMDUJTJZKAYCFV-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659648
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
N-ethyl-1-(4-methylphenyl)-2-pentylsulfinylethanamine
CID 107758989
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
CID 64652293
tert-butyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]-diphenylsilane
CID 134878629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine (CID 64658277) is N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine is CCNC(CS(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine?
The InChIKey is GMDUJTJZKAYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-18-17(15-7-5-4-6-8-15)13-20(19)16-11-9-14(2)10-12-16/h4-12,17-18H,3,13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine?
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine is sourced from PubChem (CID 64658277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).