1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

C18H23NS — CID 64634409

IUPAC1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccc(C)c(C(N)CSCc2ccccc2C)c1
InChIInChI=1S/C18H23NS/c1-13-8-9-15(3)17(10-13)18(19)12-20-11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3
InChIKeyNBYJJJCACUUGPK-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.55
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 64634409) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
PubChem CID64634409
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccc(C)c(C(N)CSCc2ccccc2C)c1
InChIInChI=1S/C18H23NS/c1-13-8-9-15(3)17(10-13)18(19)12-20-11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3
InChIKeyNBYJJJCACUUGPK-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64633802
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
CID 103290995
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
methyl 3-[2-amino-2-(2,5-dimethylphenyl)ethyl]sulfanylpropanoate
CID 64612895
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
2-amino-3-[(2,5-dimethylphenyl)methylsulfanyl]propanoic acid;hydrochloride
CID 126459934
1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
CID 134929431
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (CID 64634409) is 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is Cc1ccc(C)c(C(N)CSCc2ccccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is NBYJJJCACUUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-8-9-15(3)17(10-13)18(19)12-20-11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 64634409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).