N-phenylmethoxy-1-thiophen-3-ylmethanamine

C12H13NOS — CID 64974208

IUPACN-phenylmethoxy-1-thiophen-3-ylmethanamine
SMILESc1ccc(CONCc2ccsc2)cc1
InChIInChI=1S/C12H13NOS/c1-2-4-11(5-3-1)9-14-13-8-12-6-7-15-10-12/h1-7,10,13H,8-9H2
InChIKeyUXQVGYVFNIARTO-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.97
Rot. Bonds5

About N-phenylmethoxy-1-thiophen-3-ylmethanamine

N-phenylmethoxy-1-thiophen-3-ylmethanamine (PubChem CID 64974208) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-phenylmethoxy-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-thiophen-3-ylmethanamine
PubChem CID64974208
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-phenylmethoxy-1-thiophen-3-ylmethanamine
SMILESc1ccc(CONCc2ccsc2)cc1
InChIInChI=1S/C12H13NOS/c1-2-4-11(5-3-1)9-14-13-8-12-6-7-15-10-12/h1-7,10,13H,8-9H2
InChIKeyUXQVGYVFNIARTO-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
CID 142969768
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
CID 64974568
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-thiophen-3-ylmethanamine?
The IUPAC name of N-phenylmethoxy-1-thiophen-3-ylmethanamine (CID 64974208) is N-phenylmethoxy-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-phenylmethoxy-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-phenylmethoxy-1-thiophen-3-ylmethanamine is c1ccc(CONCc2ccsc2)cc1.
What is the InChIKey of N-phenylmethoxy-1-thiophen-3-ylmethanamine?
The InChIKey is UXQVGYVFNIARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-4-11(5-3-1)9-14-13-8-12-6-7-15-10-12/h1-7,10,13H,8-9H2.
What are the key properties of N-phenylmethoxy-1-thiophen-3-ylmethanamine?
N-phenylmethoxy-1-thiophen-3-ylmethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 64974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).