N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine

C15H23NOS — CID 63649238

IUPACN-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
SMILESCSc1ccccc1OC(C)CCCNC1CC1
InChIInChI=1S/C15H23NOS/c1-12(6-5-11-16-13-9-10-13)17-14-7-3-4-8-15(14)18-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3
InChIKeyKEBBLSCGBMRSEY-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.71
Rot. Bonds8

About N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine

N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine (PubChem CID 63649238) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
PubChem CID63649238
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
SMILESCSc1ccccc1OC(C)CCCNC1CC1
InChIInChI=1S/C15H23NOS/c1-12(6-5-11-16-13-9-10-13)17-14-7-3-4-8-15(14)18-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3
InChIKeyKEBBLSCGBMRSEY-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.71
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-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
2-(2-methylsulfanylphenoxy)propan-1-amine
CID 63648328
N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
CID 62486274
N-[4-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455196
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine (CID 63649238) is N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine is CSc1ccccc1OC(C)CCCNC1CC1.
What is the InChIKey of N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine?
The InChIKey is KEBBLSCGBMRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(6-5-11-16-13-9-10-13)17-14-7-3-4-8-15(14)18-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3.
What are the key properties of N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine?
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine has a molecular weight of 265.42 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 63649238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).