2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine

C15H20N2OS — CID 43530779

IUPAC2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1ccsc1
InChIInChI=1S/C15H20N2OS/c1-17(11-14-5-8-19-12-14)6-7-18-15-4-2-3-13(9-15)10-16/h2-5,8-9,12H,6-7,10-11,16H2,1H3
InChIKeyKQZFWCFUFCEHPV-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.72
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine

2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 43530779) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID43530779
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1ccsc1
InChIInChI=1S/C15H20N2OS/c1-17(11-14-5-8-19-12-14)6-7-18-15-4-2-3-13(9-15)10-16/h2-5,8-9,12H,6-7,10-11,16H2,1H3
InChIKeyKQZFWCFUFCEHPV-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781
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
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine (CID 43530779) is 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine is CN(CCOc1cccc(CN)c1)Cc1ccsc1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is KQZFWCFUFCEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(11-14-5-8-19-12-14)6-7-18-15-4-2-3-13(9-15)10-16/h2-5,8-9,12H,6-7,10-11,16H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 43530779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).