1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine

C18H24FNS — CID 43735017

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NC(c1ccc(F)cc1)C(C)(C)C)c1cccs1
InChIInChI=1S/C18H24FNS/c1-5-15(16-7-6-12-21-16)20-17(18(2,3)4)13-8-10-14(19)11-9-13/h6-12,15,17,20H,5H2,1-4H3
InChIKeyGTXQLZXBIULPGL-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.72
Rot. Bonds5

About 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine (PubChem CID 43735017) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
PubChem CID43735017
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NC(c1ccc(F)cc1)C(C)(C)C)c1cccs1
InChIInChI=1S/C18H24FNS/c1-5-15(16-7-6-12-21-16)20-17(18(2,3)4)13-8-10-14(19)11-9-13/h6-12,15,17,20H,5H2,1-4H3
InChIKeyGTXQLZXBIULPGL-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
CID 103388771
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 107354180
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine (CID 43735017) is 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine is CCC(NC(c1ccc(F)cc1)C(C)(C)C)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The InChIKey is GTXQLZXBIULPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-5-15(16-7-6-12-21-16)20-17(18(2,3)4)13-8-10-14(19)11-9-13/h6-12,15,17,20H,5H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine is sourced from PubChem (CID 43735017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).