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

C15H17ClFNS — CID 114842503

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H17ClFNS/c1-15(2,14-4-3-7-19-14)10-18-9-11-8-12(16)5-6-13(11)17/h3-8,18H,9-10H2,1-2H3
InChIKeyQJOQOPQNVMSKTD-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.61
Rot. Bonds5

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

N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 114842503) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID114842503
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H17ClFNS/c1-15(2,14-4-3-7-19-14)10-18-9-11-8-12(16)5-6-13(11)17/h3-8,18H,9-10H2,1-2H3
InChIKeyQJOQOPQNVMSKTD-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-nitrophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78998840
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440507
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526561
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 114842503) is N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is QJOQOPQNVMSKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-15(2,14-4-3-7-19-14)10-18-9-11-8-12(16)5-6-13(11)17/h3-8,18H,9-10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 114842503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).