N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine

C15H24N2OS — CID 43530803

IUPACN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
SMILESCN(CCCOc1ccccc1CN)C1CCSC1
InChIInChI=1S/C15H24N2OS/c1-17(14-7-10-19-12-14)8-4-9-18-15-6-3-2-5-13(15)11-16/h2-3,5-6,14H,4,7-12,16H2,1H3
InChIKeyWXMPKGWUVPRHFK-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.35
Rot. Bonds7

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

N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine (PubChem CID 43530803) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
PubChem CID43530803
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
SMILESCN(CCCOc1ccccc1CN)C1CCSC1
InChIInChI=1S/C15H24N2OS/c1-17(14-7-10-19-12-14)8-4-9-18-15-6-3-2-5-13(15)11-16/h2-3,5-6,14H,4,7-12,16H2,1H3
InChIKeyWXMPKGWUVPRHFK-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
CID 43296257
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
CID 43610827
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
CID 102860726
N-(3-chloropropyl)-N-methylthiolan-3-amine
CID 61289342
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 43530885
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine (CID 43530803) is N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine is CN(CCCOc1ccccc1CN)C1CCSC1.
What is the InChIKey of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine?
The InChIKey is WXMPKGWUVPRHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(14-7-10-19-12-14)8-4-9-18-15-6-3-2-5-13(15)11-16/h2-3,5-6,14H,4,7-12,16H2,1H3.
What are the key properties of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine?
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine has a molecular weight of 280.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).