N-methyl-2-pentylsulfanyl-1-phenylethanamine

C14H23NS — CID 107762924

IUPACN-methyl-2-pentylsulfanyl-1-phenylethanamine
SMILESCCCCCSCC(NC)c1ccccc1
InChIInChI=1S/C14H23NS/c1-3-4-8-11-16-12-14(15-2)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKeyJALVKTGQKFHDEU-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds8

About N-methyl-2-pentylsulfanyl-1-phenylethanamine

N-methyl-2-pentylsulfanyl-1-phenylethanamine (PubChem CID 107762924) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-2-pentylsulfanyl-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfanyl-1-phenylethanamine
PubChem CID107762924
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-2-pentylsulfanyl-1-phenylethanamine
SMILESCCCCCSCC(NC)c1ccccc1
InChIInChI=1S/C14H23NS/c1-3-4-8-11-16-12-14(15-2)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKeyJALVKTGQKFHDEU-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
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

Isopropylbenzylamine
CID 66024
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
NoName_3177
CID 2771069
N-Butylbenzylamine
CID 75467
N-Methyl-1-phenylethylamine
CID 577403
2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
2-Phenylthiazolidine
CID 20706
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
2-Phenylthiomorpholine
CID 5004199
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
N-methyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882957
Ethanethiol, 2-amino-2-phenyl-
CID 19043007

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfanyl-1-phenylethanamine?
The IUPAC name of N-methyl-2-pentylsulfanyl-1-phenylethanamine (CID 107762924) is N-methyl-2-pentylsulfanyl-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-pentylsulfanyl-1-phenylethanamine?
The canonical SMILES for N-methyl-2-pentylsulfanyl-1-phenylethanamine is CCCCCSCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-pentylsulfanyl-1-phenylethanamine?
The InChIKey is JALVKTGQKFHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-4-8-11-16-12-14(15-2)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-methyl-2-pentylsulfanyl-1-phenylethanamine?
N-methyl-2-pentylsulfanyl-1-phenylethanamine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfanyl-1-phenylethanamine is sourced from PubChem (CID 107762924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).