N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine

C15H25NS — CID 107762989

IUPACN-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-4-5-8-11-17-12-15(16-3)14-10-7-6-9-13(14)2/h6-7,9-10,15-16H,4-5,8,11-12H2,1-3H3
InChIKeyXXUIMYHJZSADDV-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.18
Rot. Bonds8

About N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine

N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine (PubChem CID 107762989) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
PubChem CID107762989
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-4-5-8-11-17-12-15(16-3)14-10-7-6-9-13(14)2/h6-7,9-10,15-16H,4-5,8,11-12H2,1-3H3
InChIKeyXXUIMYHJZSADDV-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64610280
N-methyl-2-pentylsulfanyl-1-phenylethanamine
CID 107762924
methyl 3-[2-(methylamino)-2-(2-methylphenyl)ethyl]sulfanylpropanoate
CID 64613723
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649227
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine (CID 107762989) is N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine is CCCCCSCC(NC)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine?
The InChIKey is XXUIMYHJZSADDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-5-8-11-17-12-15(16-3)14-10-7-6-9-13(14)2/h6-7,9-10,15-16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine?
N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine is sourced from PubChem (CID 107762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).