N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine

C15H19NS — CID 61078547

IUPACN-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS/c1-16-15(11-14-9-10-17-12-14)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15-16H,7-8,11H2,1H3
InChIKeyLAWVGVDZBOBZRZ-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine

N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 61078547) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
PubChem CID61078547
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS/c1-16-15(11-14-9-10-17-12-14)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15-16H,7-8,11H2,1H3
InChIKeyLAWVGVDZBOBZRZ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyl-1-thiophen-3-ylbutan-2-yl)hydrazine
CID 105205761
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
CID 59877545
CID 59877545
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine (CID 61078547) is N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine is CNC(CCc1ccccc1)Cc1ccsc1.
What is the InChIKey of N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is LAWVGVDZBOBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-16-15(11-14-9-10-17-12-14)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15-16H,7-8,11H2,1H3.
What are the key properties of N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine?
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 61078547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).