2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

C16H21NS — CID 81398198

IUPAC2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCC(C)C(N[C@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-12(2)16(14-8-5-4-6-9-14)17-13(3)15-10-7-11-18-15/h4-13,16-17H,1-3H3/t13-,16?/m1/s1
InChIKeyVIUFWBILIRATDX-JBZHPUCOSA-N
MW259.42 g/mol
LogP4.80
Rot. Bonds5

About 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81398198) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81398198
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCC(C)C(N[C@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-12(2)16(14-8-5-4-6-9-14)17-13(3)15-10-7-11-18-15/h4-13,16-17H,1-3H3/t13-,16?/m1/s1
InChIKeyVIUFWBILIRATDX-JBZHPUCOSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (CID 81398198) is 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is CC(C)C(N[C@H](C)c1cccs1)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is VIUFWBILIRATDX-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H21NS/c1-12(2)16(14-8-5-4-6-9-14)17-13(3)15-10-7-11-18-15/h4-13,16-17H,1-3H3/t13-,16?/m1/s1.
What are the key properties of 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81398198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).