N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline

C15H15NS — CID 138984064

IUPACN-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline
SMILESC[C@H](C#Cc1cccs1)N(C)c1ccccc1
InChIInChI=1S/C15H15NS/c1-13(10-11-15-9-6-12-17-15)16(2)14-7-4-3-5-8-14/h3-9,12-13H,1-2H3/t13-/m1/s1
InChIKeyFHQHNXJWLZHJGQ-CYBMUJFWSA-N
MW241.36 g/mol
LogP3.62
Rot. Bonds2

About N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline

N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline (PubChem CID 138984064) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline
PubChem CID138984064
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC NameN-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline
SMILESC[C@H](C#Cc1cccs1)N(C)c1ccccc1
InChIInChI=1S/C15H15NS/c1-13(10-11-15-9-6-12-17-15)16(2)14-7-4-3-5-8-14/h3-9,12-13H,1-2H3/t13-/m1/s1
InChIKeyFHQHNXJWLZHJGQ-CYBMUJFWSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene
CID 71378347
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
CID 130055842
2-(N-methyl-4-phenylanilino)propanenitrile
CID 115129991
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
CID 134922970
2-[2-(benzenesulfonyl)ethynyl]thiophene
CID 162405289
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764
3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 18175399
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806
methyl-oxo-phenyl-(2-thiophen-2-ylethynylimino)-λ6-sulfane
CID 132542660

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline?
The IUPAC name of N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline (CID 138984064) is N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline.
What is the SMILES notation for N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline?
The canonical SMILES for N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline is C[C@H](C#Cc1cccs1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline?
The InChIKey is FHQHNXJWLZHJGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NS/c1-13(10-11-15-9-6-12-17-15)16(2)14-7-4-3-5-8-14/h3-9,12-13H,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline?
N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline has a molecular weight of 241.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline is sourced from PubChem (CID 138984064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).