N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine

C14H22N2OS — CID 43296257

IUPACN-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
SMILESCN(CCCOc1ccccc1N)C1CCSC1
InChIInChI=1S/C14H22N2OS/c1-16(12-7-10-18-11-12)8-4-9-17-14-6-3-2-5-13(14)15/h2-3,5-6,12H,4,7-11,15H2,1H3
InChIKeyCGBSMNBZCNIMEU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine

N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine (PubChem CID 43296257) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
PubChem CID43296257
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
SMILESCN(CCCOc1ccccc1N)C1CCSC1
InChIInChI=1S/C14H22N2OS/c1-16(12-7-10-18-11-12)8-4-9-17-14-6-3-2-5-13(14)15/h2-3,5-6,12H,4,7-11,15H2,1H3
InChIKeyCGBSMNBZCNIMEU-UHFFFAOYSA-N
XLogP2.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
CID 43530803
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
1-N-methyl-3-propoxy-1-N-(thiolan-3-yl)benzene-1,2-diamine
CID 113393306
N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
CID 82732858
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
N-[2-(3-aminophenyl)ethyl]-N-methylthiolan-3-amine
CID 65350362
2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine (CID 43296257) is N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine is CN(CCCOc1ccccc1N)C1CCSC1.
What is the InChIKey of N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine?
The InChIKey is CGBSMNBZCNIMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(12-7-10-18-11-12)8-4-9-17-14-6-3-2-5-13(14)15/h2-3,5-6,12H,4,7-11,15H2,1H3.
What are the key properties of N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine?
N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine has a molecular weight of 266.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43296257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).