N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine

C15H25NS — CID 64614922

IUPACN-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)c1ccc(C)cc1
InChIInChI=1S/C15H25NS/c1-4-10-16-15(12-17-11-5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyMLWDLEXGSRNPTQ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.18
Rot. Bonds8

About N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine

N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine (PubChem CID 64614922) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
PubChem CID64614922
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)c1ccc(C)cc1
InChIInChI=1S/C15H25NS/c1-4-10-16-15(12-17-11-5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyMLWDLEXGSRNPTQ-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'}

Analyze N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64614295
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726
3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
CID 66127937
N-[1-(3,4-dimethylphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107763957
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine (CID 64614922) is N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine is CCCNC(CSCCC)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The InChIKey is MLWDLEXGSRNPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-10-16-15(12-17-11-5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine 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-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 64614922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).