N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine

C15H25NOS — CID 79575255

IUPACN-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
SMILESCCCOCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C15H25NOS/c1-4-9-17-11-14(16-5-2)12-18-15-8-6-7-13(3)10-15/h6-8,10,14,16H,4-5,9,11-12H2,1-3H3
InChIKeyOJIBFJSBFAHOCF-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.49
Rot. Bonds9

About N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine

N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine (PubChem CID 79575255) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
PubChem CID79575255
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
SMILESCCCOCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C15H25NOS/c1-4-9-17-11-14(16-5-2)12-18-15-8-6-7-13(3)10-15/h6-8,10,14,16H,4-5,9,11-12H2,1-3H3
InChIKeyOJIBFJSBFAHOCF-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.49
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

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-ol
CID 79566648
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine (CID 79575255) is N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine is CCCOCC(CSc1cccc(C)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine?
The InChIKey is OJIBFJSBFAHOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-9-17-11-14(16-5-2)12-18-15-8-6-7-13(3)10-15/h6-8,10,14,16H,4-5,9,11-12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine is sourced from PubChem (CID 79575255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).