1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine

C17H22FNS — CID 105373823

IUPAC1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H22FNS/c1-3-8-19-16(12-17-5-4-9-20-17)11-14-10-15(18)7-6-13(14)2/h4-7,9-10,16,19H,3,8,11-12H2,1-2H3
InChIKeyAECINQDPVGHDJM-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.35
Rot. Bonds7

About 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine

1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 105373823) has the molecular formula C17H22FNS and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID105373823
Molecular FormulaC17H22FNS
Molecular Weight291.43 g/mol
Exact Mass291.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H22FNS/c1-3-8-19-16(12-17-5-4-9-20-17)11-14-10-15(18)7-6-13(14)2/h4-7,9-10,16,19H,3,8,11-12H2,1-2H3
InChIKeyAECINQDPVGHDJM-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
[1-(4-fluoro-2-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211952
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 105373823) is 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(Cc1cccs1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is AECINQDPVGHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-3-8-19-16(12-17-5-4-9-20-17)11-14-10-15(18)7-6-13(14)2/h4-7,9-10,16,19H,3,8,11-12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 105373823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).