N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine

C16H18FNS — CID 54983114

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NC(c1cccs1)C1CC1)c1ccccc1F
InChIInChI=1S/C16H18FNS/c1-11(13-5-2-3-6-14(13)17)18-16(12-8-9-12)15-7-4-10-19-15/h2-7,10-12,16,18H,8-9H2,1H3
InChIKeyBCPKYRIQAXFJMI-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.69
Rot. Bonds5

About N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine

N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 54983114) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID54983114
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NC(c1cccs1)C1CC1)c1ccccc1F
InChIInChI=1S/C16H18FNS/c1-11(13-5-2-3-6-14(13)17)18-16(12-8-9-12)15-7-4-10-19-15/h2-7,10-12,16,18H,8-9H2,1H3
InChIKeyBCPKYRIQAXFJMI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54983076
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (CID 54983114) is N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NC(c1cccs1)C1CC1)c1ccccc1F.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is BCPKYRIQAXFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11(13-5-2-3-6-14(13)17)18-16(12-8-9-12)15-7-4-10-19-15/h2-7,10-12,16,18H,8-9H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 54983114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).