N-methyl-4-(thiophen-2-ylmethoxy)aniline

C12H13NOS — CID 61027856

IUPACN-methyl-4-(thiophen-2-ylmethoxy)aniline
SMILESCNc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h2-8,13H,9H2,1H3
InChIKeyWTDIJVXKGSHWMU-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-4-(thiophen-2-ylmethoxy)aniline

N-methyl-4-(thiophen-2-ylmethoxy)aniline (PubChem CID 61027856) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-4-(thiophen-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(thiophen-2-ylmethoxy)aniline
PubChem CID61027856
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-methyl-4-(thiophen-2-ylmethoxy)aniline
SMILESCNc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h2-8,13H,9H2,1H3
InChIKeyWTDIJVXKGSHWMU-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(thiophen-2-ylmethoxy)phenyl]formamide
CID 168653382
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thiophen-2-ylmethoxy)aniline?
The IUPAC name of N-methyl-4-(thiophen-2-ylmethoxy)aniline (CID 61027856) is N-methyl-4-(thiophen-2-ylmethoxy)aniline.
What is the SMILES notation for N-methyl-4-(thiophen-2-ylmethoxy)aniline?
The canonical SMILES for N-methyl-4-(thiophen-2-ylmethoxy)aniline is CNc1ccc(OCc2cccs2)cc1.
What is the InChIKey of N-methyl-4-(thiophen-2-ylmethoxy)aniline?
The InChIKey is WTDIJVXKGSHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h2-8,13H,9H2,1H3.
What are the key properties of N-methyl-4-(thiophen-2-ylmethoxy)aniline?
N-methyl-4-(thiophen-2-ylmethoxy)aniline has a molecular weight of 219.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thiophen-2-ylmethoxy)aniline is sourced from PubChem (CID 61027856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).