2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

C18H24FNS — CID 79435475

IUPAC2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCC(CCc1cccs1)c1ccccc1F
InChIInChI=1S/C18H24FNS/c1-14(2)12-20-13-15(9-10-16-6-5-11-21-16)17-7-3-4-8-18(17)19/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3
InChIKeyZACKBNNMHLKIBY-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.85
Rot. Bonds8

About 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 79435475) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID79435475
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC Name2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCC(CCc1cccs1)c1ccccc1F
InChIInChI=1S/C18H24FNS/c1-14(2)12-20-13-15(9-10-16-6-5-11-21-16)17-7-3-4-8-18(17)19/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3
InChIKeyZACKBNNMHLKIBY-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
CID 79455066
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
CID 62486334
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (CID 79435475) is 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine is CC(C)CNCC(CCc1cccs1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is ZACKBNNMHLKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-14(2)12-20-13-15(9-10-16-6-5-11-21-16)17-7-3-4-8-18(17)19/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 79435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).