N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine

C18H25NS — CID 80526209

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCC(C)(C)c1cccs1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-4-9-16(15-10-6-5-7-11-15)19-14-18(2,3)17-12-8-13-20-17/h5-8,10-13,16,19H,4,9,14H2,1-3H3
InChIKeyOKULFFHEBZAMTG-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.16
Rot. Bonds7

About N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine (PubChem CID 80526209) 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)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
PubChem CID80526209
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCC(C)(C)c1cccs1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-4-9-16(15-10-6-5-7-11-15)19-14-18(2,3)17-12-8-13-20-17/h5-8,10-13,16,19H,4,9,14H2,1-3H3
InChIKeyOKULFFHEBZAMTG-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115938783
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine (CID 80526209) is N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine is CCCC(NCC(C)(C)c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine?
The InChIKey is OKULFFHEBZAMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-9-16(15-10-6-5-7-11-15)19-14-18(2,3)17-12-8-13-20-17/h5-8,10-13,16,19H,4,9,14H2,1-3H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.16, 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)-1-phenylbutan-1-amine is sourced from PubChem (CID 80526209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).