N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine

C16H21NO2S — CID 60877961

IUPACN-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCc1cccs1
InChIInChI=1S/C16H21NO2S/c1-3-8-17-11-13-10-14(18-2)6-7-16(13)19-12-15-5-4-9-20-15/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyZGIWNJXXDDUJPG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.84
Rot. Bonds8

About N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 60877961) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID60877961
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCc1cccs1
InChIInChI=1S/C16H21NO2S/c1-3-8-17-11-13-10-14(18-2)6-7-16(13)19-12-15-5-4-9-20-15/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyZGIWNJXXDDUJPG-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]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

2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
N-[[5-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877966
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058853
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60887543

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine (CID 60877961) is N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(OC)ccc1OCc1cccs1.
What is the InChIKey of N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ZGIWNJXXDDUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-8-17-11-13-10-14(18-2)6-7-16(13)19-12-15-5-4-9-20-15/h4-7,9-10,17H,3,8,11-12H2,1-2H3.
What are the key properties of N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60877961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).