N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline

C18H17NOS — CID 29041025

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
SMILESCc1ccc(CNc2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C18H17NOS/c1-14-11-12-16(21-14)13-19-17-9-5-6-10-18(17)20-15-7-3-2-4-8-15/h2-12,19H,13H2,1H3
InChIKeyJYGODHYVKXMWJM-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.46
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline

N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline (PubChem CID 29041025) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
PubChem CID29041025
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
SMILESCc1ccc(CNc2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C18H17NOS/c1-14-11-12-16(21-14)13-19-17-9-5-6-10-18(17)20-15-7-3-2-4-8-15/h2-12,19H,13H2,1H3
InChIKeyJYGODHYVKXMWJM-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2-[(2-phenoxyanilino)methyl]phenol
CID 43823583
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
N-methyl-2-phenoxyaniline
CID 22961955
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
CID 51121599
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline (CID 29041025) is N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline is Cc1ccc(CNc2ccccc2Oc2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline?
The InChIKey is JYGODHYVKXMWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-14-11-12-16(21-14)13-19-17-9-5-6-10-18(17)20-15-7-3-2-4-8-15/h2-12,19H,13H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline?
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline has a molecular weight of 295.41 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline is sourced from PubChem (CID 29041025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).