1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine

C16H18FNS — CID 62813412

IUPAC1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1
InChIInChI=1S/C16H18FNS/c1-10-9-12(5-6-13(10)17)14-7-8-15(19-14)16(18-2)11-3-4-11/h5-9,11,16,18H,3-4H2,1-2H3
InChIKeyZQFTUPFPVCUJTN-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.53
Rot. Bonds4

About 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine

1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 62813412) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID62813412
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1
InChIInChI=1S/C16H18FNS/c1-10-9-12(5-6-13(10)17)14-7-8-15(19-14)16(18-2)11-3-4-11/h5-9,11,16,18H,3-4H2,1-2H3
InChIKeyZQFTUPFPVCUJTN-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine (CID 62813412) is 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine is CNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is ZQFTUPFPVCUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-10-9-12(5-6-13(10)17)14-7-8-15(19-14)16(18-2)11-3-4-11/h5-9,11,16,18H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62813412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).