1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine

C15H23NS — CID 55240605

IUPAC1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SCC2CCCC2)c(C)c1
InChIInChI=1S/C15H23NS/c1-12-9-14(10-16-2)7-8-15(12)17-11-13-5-3-4-6-13/h7-9,13,16H,3-6,10-11H2,1-2H3
InChIKeyVUVHAYWCEBMEEP-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.00
Rot. Bonds5

About 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine

1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 55240605) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine
PubChem CID55240605
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SCC2CCCC2)c(C)c1
InChIInChI=1S/C15H23NS/c1-12-9-14(10-16-2)7-8-15(12)17-11-13-5-3-4-6-13/h7-9,13,16H,3-6,10-11H2,1-2H3
InChIKeyVUVHAYWCEBMEEP-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650745
N-methyl-1-[3-methyl-4-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805331
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
methyl 2-[2-methyl-4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63808376
N-[[3-chloro-4-(cyclopentylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 81160113
2-(cyclopentylmethylsulfanyl)-5-methylbenzonitrile
CID 107930985
N-[(4-cyclopentylsulfanyl-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 55238887
1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine
CID 63119798
1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 142025209
methyl 2-[1-[[2-methyl-4-(methylaminomethyl)phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778340
N-[[3-chloro-4-(cyclohexylmethylsulfanyl)phenyl]methyl]-7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;ethane
CID 143097541
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine (CID 55240605) is 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(SCC2CCCC2)c(C)c1.
What is the InChIKey of 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is VUVHAYWCEBMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-9-14(10-16-2)7-8-15(12)17-11-13-5-3-4-6-13/h7-9,13,16H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethylsulfanyl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 55240605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).