N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine

C17H21NS — CID 79437348

IUPACN-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)Cc2cccs2)cc1
InChIInChI=1S/C17H21NS/c1-13-4-6-14(7-5-13)15(12-18-16-8-9-16)11-17-3-2-10-19-17/h2-7,10,15-16,18H,8-9,11-12H2,1H3
InChIKeyORYPSOZITGXEAY-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine

N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine (PubChem CID 79437348) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
PubChem CID79437348
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)Cc2cccs2)cc1
InChIInChI=1S/C17H21NS/c1-13-4-6-14(7-5-13)15(12-18-16-8-9-16)11-17-3-2-10-19-17/h2-7,10,15-16,18H,8-9,11-12H2,1H3
InChIKeyORYPSOZITGXEAY-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
CID 62516670
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine (CID 79437348) is N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine is Cc1ccc(C(CNC2CC2)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine?
The InChIKey is ORYPSOZITGXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13-4-6-14(7-5-13)15(12-18-16-8-9-16)11-17-3-2-10-19-17/h2-7,10,15-16,18H,8-9,11-12H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine?
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine has a molecular weight of 271.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine is sourced from PubChem (CID 79437348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).