N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine

C18H25NS — CID 78963724

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC(C)(C)c1cccs1
InChIInChI=1S/C18H25NS/c1-15(11-12-16-8-5-4-6-9-16)19-14-18(2,3)17-10-7-13-20-17/h4-10,13,15,19H,11-12,14H2,1-3H3
InChIKeyFBXSLVYMULOXFZ-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.64
Rot. Bonds7

About N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine (PubChem CID 78963724) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
PubChem CID78963724
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC(C)(C)c1cccs1
InChIInChI=1S/C18H25NS/c1-15(11-12-16-8-5-4-6-9-16)19-14-18(2,3)17-10-7-13-20-17/h4-10,13,15,19H,11-12,14H2,1-3H3
InChIKeyFBXSLVYMULOXFZ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115720190
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
CID 79551723
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine (CID 78963724) is N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCC(C)(C)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine?
The InChIKey is FBXSLVYMULOXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-15(11-12-16-8-5-4-6-9-16)19-14-18(2,3)17-10-7-13-20-17/h4-10,13,15,19H,11-12,14H2,1-3H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 78963724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).