N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine

C16H21NOS — CID 62484744

IUPACN-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COCc1cccs1
InChIInChI=1S/C16H21NOS/c1-2-9-17-11-14-6-3-4-7-15(14)12-18-13-16-8-5-10-19-16/h3-8,10,17H,2,9,11-13H2,1H3
InChIKeyIEFPQGYTXFSKCS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds8

About N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine

N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 62484744) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID62484744
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COCc1cccs1
InChIInChI=1S/C16H21NOS/c1-2-9-17-11-14-6-3-4-7-15(14)12-18-13-16-8-5-10-19-16/h3-8,10,17H,2,9,11-13H2,1H3
InChIKeyIEFPQGYTXFSKCS-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
2-(ethoxymethyl)thiophene
CID 12699283
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152
N-[[3-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 63775094
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine (CID 62484744) is N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COCc1cccs1.
What is the InChIKey of N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is IEFPQGYTXFSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-9-17-11-14-6-3-4-7-15(14)12-18-13-16-8-5-10-19-16/h3-8,10,17H,2,9,11-13H2,1H3.
What are the key properties of N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine?
N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62484744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).