2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine

C17H23NS — CID 54886658

IUPAC2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NCC(C)(C)c1ccccc1)c1cccs1
InChIInChI=1S/C17H23NS/c1-4-15(16-11-8-12-19-16)18-13-17(2,3)14-9-6-5-7-10-14/h5-12,15,18H,4,13H2,1-3H3
InChIKeyBILINKLCLDMMCF-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.77
Rot. Bonds6

About 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine

2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine (PubChem CID 54886658) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
PubChem CID54886658
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NCC(C)(C)c1ccccc1)c1cccs1
InChIInChI=1S/C17H23NS/c1-4-15(16-11-8-12-19-16)18-13-17(2,3)14-9-6-5-7-10-14/h5-12,15,18H,4,13H2,1-3H3
InChIKeyBILINKLCLDMMCF-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
CID 63451971
N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
CID 55256177
(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
CID 103924317
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine (CID 54886658) is 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine is CCC(NCC(C)(C)c1ccccc1)c1cccs1.
What is the InChIKey of 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The InChIKey is BILINKLCLDMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-15(16-11-8-12-19-16)18-13-17(2,3)14-9-6-5-7-10-14/h5-12,15,18H,4,13H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine is sourced from PubChem (CID 54886658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).