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

C15H17ClFNS — CID 115761561

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H17ClFNS/c1-10(2)15(14-4-3-7-19-14)18-9-11-8-12(16)5-6-13(11)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyVOVUYDXZBGKDJQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP5.03
Rot. Bonds5

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

N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 115761561) 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-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID115761561
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H17ClFNS/c1-10(2)15(14-4-3-7-19-14)18-9-11-8-12(16)5-6-13(11)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyVOVUYDXZBGKDJQ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225947
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
N-[(2-chloro-4-methylphenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 106862511
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79419287
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225866
4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)aniline
CID 114849487
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 115761561) is N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is VOVUYDXZBGKDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-10(2)15(14-4-3-7-19-14)18-9-11-8-12(16)5-6-13(11)17/h3-8,10,15,18H,9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 5.03, 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-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115761561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).