4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline

C15H19N2OS+ — CID 4574103

IUPAC4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc([NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-16-13-3-5-14(6-4-13)17-7-9-18-10-8-17/h1-6,11,16H,7-10,12H2/p+1
InChIKeyHJVQUFUEOTYCGP-UHFFFAOYSA-O
MW275.40 g/mol
LogP1.91
Rot. Bonds4

About 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline

4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 4574103) has the molecular formula C15H19N2OS+ and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID4574103
Molecular FormulaC15H19N2OS+
Molecular Weight275.40 g/mol
Exact Mass275.12
IUPAC Name4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc([NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-16-13-3-5-14(6-4-13)17-7-9-18-10-8-17/h1-6,11,16H,7-10,12H2/p+1
InChIKeyHJVQUFUEOTYCGP-UHFFFAOYSA-O
XLogP1.91
TPSA25.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 43726306
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
4-hexoxy-N-(thiophen-2-ylmethyl)aniline
CID 54798776
2-methyl-3,4-dihydro-2H-pyrrole;N-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 70531773
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54801991
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673369

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline (CID 4574103) is 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline is c1csc(CNc2ccc([NH+]3CCOCC3)cc2)c1.
What is the InChIKey of 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is HJVQUFUEOTYCGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-16-13-3-5-14(6-4-13)17-7-9-18-10-8-17/h1-6,11,16H,7-10,12H2/p+1.
What are the key properties of 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline?
4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 275.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 4574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).