2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C16H21NOS — CID 54798902

IUPAC2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cccc(C)c1OC(C)CNCc1cccs1
InChIInChI=1S/C16H21NOS/c1-12-6-4-7-13(2)16(12)18-14(3)10-17-11-15-8-5-9-19-15/h4-9,14,17H,10-11H2,1-3H3
InChIKeyWDTJIEFNKOFXKR-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.92
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 54798902) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID54798902
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cccc(C)c1OC(C)CNCc1cccs1
InChIInChI=1S/C16H21NOS/c1-12-6-4-7-13(2)16(12)18-14(3)10-17-11-15-8-5-9-19-15/h4-9,14,17H,10-11H2,1-3H3
InChIKeyWDTJIEFNKOFXKR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 54798902) is 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1cccc(C)c1OC(C)CNCc1cccs1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is WDTJIEFNKOFXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-4-7-13(2)16(12)18-14(3)10-17-11-15-8-5-9-19-15/h4-9,14,17H,10-11H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 54798902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).