4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine

C14H22N2S — CID 103575456

IUPAC4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
SMILESCSc1ccc(C(C)N2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2S/c1-10-8-16(9-14(10)15)11(2)12-4-6-13(17-3)7-5-12/h4-7,10-11,14H,8-9,15H2,1-3H3
InChIKeyWOGDWERDNSFASA-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine

4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 103575456) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID103575456
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
SMILESCSc1ccc(C(C)N2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2S/c1-10-8-16(9-14(10)15)11(2)12-4-6-13(17-3)7-5-12/h4-7,10-11,14H,8-9,15H2,1-3H3
InChIKeyWOGDWERDNSFASA-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 103575368
1-[1-(furan-3-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575621
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101
2-[1-[1-(4-methylsulfanylphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684512
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575099
4-methyl-1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 103575508
4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 103575451
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 79880151
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine (CID 103575456) is 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine is CSc1ccc(C(C)N2CC(C)C(N)C2)cc1.
What is the InChIKey of 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is WOGDWERDNSFASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-8-16(9-14(10)15)11(2)12-4-6-13(17-3)7-5-12/h4-7,10-11,14H,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).