N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine

C16H21NS — CID 115845128

IUPACN-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1ccsc1)NC
InChIInChI=1S/C16H21NS/c1-3-15(14-7-5-4-6-8-14)16(17-2)11-13-9-10-18-12-13/h4-10,12,15-17H,3,11H2,1-2H3
InChIKeyJZNVDVPDUOPCHV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.07
Rot. Bonds6

About N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine

N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine (PubChem CID 115845128) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
PubChem CID115845128
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1ccsc1)NC
InChIInChI=1S/C16H21NS/c1-3-15(14-7-5-4-6-8-14)16(17-2)11-13-9-10-18-12-13/h4-10,12,15-17H,3,11H2,1-2H3
InChIKeyJZNVDVPDUOPCHV-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
CID 115856961
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
N-ethyl-1-methoxy-1-phenyl-3-thiophen-3-ylpropan-2-amine
CID 116773126
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
N-methyl-1,5-diphenylheptan-4-amine
CID 115849452
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
3-(2-ethylbutyl)thiophene
CID 89133993
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine?
The IUPAC name of N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine (CID 115845128) is N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine.
What is the SMILES notation for N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine?
The canonical SMILES for N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine is CCC(c1ccccc1)C(Cc1ccsc1)NC.
What is the InChIKey of N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine?
The InChIKey is JZNVDVPDUOPCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-15(14-7-5-4-6-8-14)16(17-2)11-13-9-10-18-12-13/h4-10,12,15-17H,3,11H2,1-2H3.
What are the key properties of N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine?
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine is sourced from PubChem (CID 115845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).