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

C15H19NOS — CID 114077900

IUPACN-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1-c1cccs1
InChIInChI=1S/C15H19NOS/c1-3-8-16-11-12-10-13(17-2)6-7-14(12)15-5-4-9-18-15/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyPXXAWLJNENLSFT-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds6

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

N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine (PubChem CID 114077900) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
PubChem CID114077900
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1-c1cccs1
InChIInChI=1S/C15H19NOS/c1-3-8-16-11-12-10-13(17-2)6-7-14(12)15-5-4-9-18-15/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyPXXAWLJNENLSFT-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.92
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-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61032764
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
2-(2-chloro-5-methoxyphenyl)thiophene
CID 172555781
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
CID 112749810
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine (CID 114077900) is N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine is CCCNCc1cc(OC)ccc1-c1cccs1.
What is the InChIKey of N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is PXXAWLJNENLSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-8-16-11-12-10-13(17-2)6-7-14(12)15-5-4-9-18-15/h4-7,9-10,16H,3,8,11H2,1-2H3.
What are the key properties of N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine?
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 261.39 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 N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114077900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).