N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine

C18H23NOS — CID 64659648

IUPACN-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C18H23NOS/c1-4-19-18(17-8-6-5-7-15(17)3)13-21(20)16-11-9-14(2)10-12-16/h5-12,18-19H,4,13H2,1-3H3
InChIKeyWTIBEQKCZHZGKG-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine

N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine (PubChem CID 64659648) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
PubChem CID64659648
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C18H23NOS/c1-4-19-18(17-8-6-5-7-15(17)3)13-21(20)16-11-9-14(2)10-12-16/h5-12,18-19H,4,13H2,1-3H3
InChIKeyWTIBEQKCZHZGKG-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64651076
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
CID 23251148
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64674888
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490466
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
CID 63172375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine (CID 64659648) is N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine is CCNC(CS(=O)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The InChIKey is WTIBEQKCZHZGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-19-18(17-8-6-5-7-15(17)3)13-21(20)16-11-9-14(2)10-12-16/h5-12,18-19H,4,13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine?
N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine is sourced from PubChem (CID 64659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).