2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine

C15H23NS — CID 79956706

IUPAC2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
SMILESCc1ccccc1CCNC1CCCSC1C
InChIInChI=1S/C15H23NS/c1-12-6-3-4-7-14(12)9-10-16-15-8-5-11-17-13(15)2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyYXXSHIRULSCCBE-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.41
Rot. Bonds4

About 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine

2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine (PubChem CID 79956706) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
PubChem CID79956706
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
SMILESCc1ccccc1CCNC1CCCSC1C
InChIInChI=1S/C15H23NS/c1-12-6-3-4-7-14(12)9-10-16-15-8-5-11-17-13(15)2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyYXXSHIRULSCCBE-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79763759
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
N-[2-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 79763308
2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
CID 79957326
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
2-methyl-N-(2-phenylphenyl)thian-3-amine
CID 79957077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine (CID 79956706) is 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine is Cc1ccccc1CCNC1CCCSC1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine?
The InChIKey is YXXSHIRULSCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-6-3-4-7-14(12)9-10-16-15-8-5-11-17-13(15)2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine?
2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine has a molecular weight of 249.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine is sourced from PubChem (CID 79956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).