3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

C16H22N2OS — CID 43530885

IUPAC3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCN(CCCOc1ccccc1CN)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-18(13-15-7-4-11-20-15)9-5-10-19-16-8-3-2-6-14(16)12-17/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3
InChIKeyOCTLKDBXSYPGCN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.11
Rot. Bonds8

About 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 43530885) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID43530885
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCN(CCCOc1ccccc1CN)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-18(13-15-7-4-11-20-15)9-5-10-19-16-8-3-2-6-14(16)12-17/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3
InChIKeyOCTLKDBXSYPGCN-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
CID 43374698
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
CID 43530803
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 43530885) is 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is CN(CCCOc1ccccc1CN)Cc1cccs1.
What is the InChIKey of 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is OCTLKDBXSYPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18(13-15-7-4-11-20-15)9-5-10-19-16-8-3-2-6-14(16)12-17/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3.
What are the key properties of 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43530885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).