1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine

C18H23NS — CID 63400602

IUPAC1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
SMILESCCCc1ccccc1-c1ccc(C(NC)C2CC2)s1
InChIInChI=1S/C18H23NS/c1-3-6-13-7-4-5-8-15(13)16-11-12-17(20-16)18(19-2)14-9-10-14/h4-5,7-8,11-12,14,18-19H,3,6,9-10H2,1-2H3
InChIKeyMZVKEWNSVKBYHO-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.04
Rot. Bonds6

About 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine

1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine (PubChem CID 63400602) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
PubChem CID63400602
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
SMILESCCCc1ccccc1-c1ccc(C(NC)C2CC2)s1
InChIInChI=1S/C18H23NS/c1-3-6-13-7-4-5-8-15(13)16-11-12-17(20-16)18(19-2)14-9-10-14/h4-5,7-8,11-12,14,18-19H,3,6,9-10H2,1-2H3
InChIKeyMZVKEWNSVKBYHO-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine (CID 63400602) is 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine is CCCc1ccccc1-c1ccc(C(NC)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine?
The InChIKey is MZVKEWNSVKBYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-6-13-7-4-5-8-15(13)16-11-12-17(20-16)18(19-2)14-9-10-14/h4-5,7-8,11-12,14,18-19H,3,6,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine?
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine has a molecular weight of 285.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 63400602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).