2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine

C18H23NS — CID 64619551

IUPAC2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NS/c1-4-15-6-8-16(9-7-15)17(19)12-20-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyXLQCOVAUSKKMQN-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine

2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine (PubChem CID 64619551) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
PubChem CID64619551
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NS/c1-4-15-6-8-16(9-7-15)17(19)12-20-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyXLQCOVAUSKKMQN-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine
CID 64613236
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
3-amino-4-(2,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64900528
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438735
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine (CID 64619551) is 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)CSc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is XLQCOVAUSKKMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-15-6-8-16(9-7-15)17(19)12-20-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine?
2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 64619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).