N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C17H21F2NS — CID 63450025

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(Cc1c(F)cccc1F)NC(c1cccs1)C(C)C
InChIInChI=1S/C17H21F2NS/c1-11(2)17(16-8-5-9-21-16)20-12(3)10-13-14(18)6-4-7-15(13)19/h4-9,11-12,17,20H,10H2,1-3H3
InChIKeyFYXRHIYYFMJXHX-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.94
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 63450025) has the molecular formula C17H21F2NS and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID63450025
Molecular FormulaC17H21F2NS
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(Cc1c(F)cccc1F)NC(c1cccs1)C(C)C
InChIInChI=1S/C17H21F2NS/c1-11(2)17(16-8-5-9-21-16)20-12(3)10-13-14(18)6-4-7-15(13)19/h4-9,11-12,17,20H,10H2,1-3H3
InChIKeyFYXRHIYYFMJXHX-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 54953108
2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 113348811
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 63450025) is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(Cc1c(F)cccc1F)NC(c1cccs1)C(C)C.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is FYXRHIYYFMJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NS/c1-11(2)17(16-8-5-9-21-16)20-12(3)10-13-14(18)6-4-7-15(13)19/h4-9,11-12,17,20H,10H2,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 309.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63450025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).