2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine

C13H12Cl2FNS — CID 62622766

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)(Cc1ccsc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FNS/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7H,6,17H2,1H3
InChIKeyIPDLACHCMITHBY-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.61
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 62622766) has the molecular formula C13H12Cl2FNS and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID62622766
Molecular FormulaC13H12Cl2FNS
Molecular Weight304.22 g/mol
Exact Mass303.01
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)(Cc1ccsc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FNS/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7H,6,17H2,1H3
InChIKeyIPDLACHCMITHBY-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
2-(4-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062000
2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062007
(4-Chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 42950978
(4-Chlorophenyl)(thiophen-3-yl)methanamine hydrochloride
CID 45792317
4-(4-Chloro-2-fluorophenyl)-3-methylthiophen-2-amine
CID 69939455
4-(4-Chloro-3-fluorophenyl)-3-methylthiophen-2-amine
CID 69939827
2-(4-Chlorophenyl)-1-thiophen-2-ylethanamine
CID 3062001
2-(2,6-Dichlorophenyl)-1-thiophen-2-ylethanamine
CID 3062008
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 8403965
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 8403968
1-(2-Chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 24257776

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine (CID 62622766) is 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine is CC(N)(Cc1ccsc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is IPDLACHCMITHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNS/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7H,6,17H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 304.22 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62622766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).