2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C16H21NOS — CID 43761105

IUPAC2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOc1ccc(C)cc1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H21NOS/c1-11(2)16(15-6-5-9-19-15)17-13-10-12(3)7-8-14(13)18-4/h5-11,16-17H,1-4H3
InChIKeyNMVASVMQNZGRAZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.87
Rot. Bonds5

About 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43761105) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43761105
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOc1ccc(C)cc1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H21NOS/c1-11(2)16(15-6-5-9-19-15)17-13-10-12(3)7-8-14(13)18-4/h5-11,16-17H,1-4H3
InChIKeyNMVASVMQNZGRAZ-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43761105) is 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is COc1ccc(C)cc1NC(c1cccs1)C(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is NMVASVMQNZGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)16(15-6-5-9-19-15)17-13-10-12(3)7-8-14(13)18-4/h5-11,16-17H,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 275.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43761105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).