N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine

C16H21NS — CID 55107089

IUPACN-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCC(CNC)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-3-16(13-17-2,12-15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11,17H,3,12-13H2,1-2H3
InChIKeyISBPXJNUROSZTK-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.86
Rot. Bonds6

About N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine

N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 55107089) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID55107089
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCC(CNC)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-3-16(13-17-2,12-15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11,17H,3,12-13H2,1-2H3
InChIKeyISBPXJNUROSZTK-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-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-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
CID 79450575
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447054
2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
CID 66628661
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine (CID 55107089) is N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine is CCC(CNC)(Cc1cccs1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is ISBPXJNUROSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-16(13-17-2,12-15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11,17H,3,12-13H2,1-2H3.
What are the key properties of N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 55107089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).