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

C14H22N2S — CID 61462428

IUPAC1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
SMILESCSc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2S/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyPBTBDZZRVGUHNI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.76
Rot. Bonds4

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

1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 61462428) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID61462428
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
SMILESCSc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2S/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyPBTBDZZRVGUHNI-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine (CID 61462428) is 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine is CSc1ccc(C(C)NC2CCN(C)C2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is PBTBDZZRVGUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine?
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 61462428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).