2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine

C18H25NS — CID 79416933

IUPAC2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2ccsc2)c1
InChIInChI=1S/C18H25NS/c1-14-6-5-7-16(10-14)17(12-19-18(2,3)4)11-15-8-9-20-13-15/h5-10,13,17,19H,11-12H2,1-4H3
InChIKeyOUJZASNYDLOTHX-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.77
Rot. Bonds5

About 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine

2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine (PubChem CID 79416933) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
PubChem CID79416933
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2ccsc2)c1
InChIInChI=1S/C18H25NS/c1-14-6-5-7-16(10-14)17(12-19-18(2,3)4)11-15-8-9-20-13-15/h5-10,13,17,19H,11-12H2,1-4H3
InChIKeyOUJZASNYDLOTHX-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369
2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
CID 107053332
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine (CID 79416933) is 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine is Cc1cccc(C(CNC(C)(C)C)Cc2ccsc2)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine?
The InChIKey is OUJZASNYDLOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-14-6-5-7-16(10-14)17(12-19-18(2,3)4)11-15-8-9-20-13-15/h5-10,13,17,19H,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine?
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine is sourced from PubChem (CID 79416933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).