N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H15ClFNS — CID 102609818

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(F)ccc1Cl)c1cccs1
InChIInChI=1S/C14H15ClFNS/c1-2-13(14-4-3-7-18-14)17-9-10-8-11(16)5-6-12(10)15/h3-8,13,17H,2,9H2,1H3
InChIKeyUMUZFKMTBLQQQG-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.78
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 102609818) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID102609818
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(F)ccc1Cl)c1cccs1
InChIInChI=1S/C14H15ClFNS/c1-2-13(14-4-3-7-18-14)17-9-10-8-11(16)5-6-12(10)15/h3-8,13,17H,2,9H2,1H3
InChIKeyUMUZFKMTBLQQQG-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(3-chloro-2-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 114487528
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 102609818) is N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1cc(F)ccc1Cl)c1cccs1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is UMUZFKMTBLQQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-13(14-4-3-7-18-14)17-9-10-8-11(16)5-6-12(10)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 102609818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).