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

C16H22N2OS — CID 43530781

IUPAC3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCOc1cccc(CN)c1)Cc1ccsc1
InChIInChI=1S/C16H22N2OS/c1-18(12-15-6-9-20-13-15)7-3-8-19-16-5-2-4-14(10-16)11-17/h2,4-6,9-10,13H,3,7-8,11-12,17H2,1H3
InChIKeyIRMKTROIWBAZNM-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.11
Rot. Bonds8

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

3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 43530781) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID43530781
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCOc1cccc(CN)c1)Cc1ccsc1
InChIInChI=1S/C16H22N2OS/c1-18(12-15-6-9-20-13-15)7-3-8-19-16-5-2-4-14(10-16)11-17/h2,4-6,9-10,13H,3,7-8,11-12,17H2,1H3
InChIKeyIRMKTROIWBAZNM-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'}

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948529

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 43530781) is 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is CN(CCCOc1cccc(CN)c1)Cc1ccsc1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is IRMKTROIWBAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18(12-15-6-9-20-13-15)7-3-8-19-16-5-2-4-14(10-16)11-17/h2,4-6,9-10,13H,3,7-8,11-12,17H2,1H3.
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-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-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43530781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).