N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine

C15H25NOS — CID 64615512

IUPACN-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-18-11-15(16-4)13-6-8-14(9-7-13)17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyIUNUFQLDMWYUJL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds8

About N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine

N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine (PubChem CID 64615512) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
PubChem CID64615512
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-18-11-15(16-4)13-6-8-14(9-7-13)17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyIUNUFQLDMWYUJL-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
1-(1,3-benzodioxol-5-yl)-N-methyl-2-propylsulfanylethanamine
CID 64615340
1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
CID 65128503
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine (CID 64615512) is N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine is CCCSCC(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine?
The InChIKey is IUNUFQLDMWYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-10-18-11-15(16-4)13-6-8-14(9-7-13)17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine?
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 64615512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).