N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine

C15H17F2NS — CID 103586918

IUPACN-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1cc(F)c(-c2ccc(CNC(C)C)s2)cc1F
InChIInChI=1S/C15H17F2NS/c1-9(2)18-8-11-4-5-15(19-11)12-7-13(16)10(3)6-14(12)17/h4-7,9,18H,8H2,1-3H3
InChIKeyPSQKLCWEAQHZQX-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.50
Rot. Bonds4

About N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 103586918) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID103586918
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1cc(F)c(-c2ccc(CNC(C)C)s2)cc1F
InChIInChI=1S/C15H17F2NS/c1-9(2)18-8-11-4-5-15(19-11)12-7-13(16)10(3)6-14(12)17/h4-7,9,18H,8H2,1-3H3
InChIKeyPSQKLCWEAQHZQX-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 62814253
N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 114260893
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
N-[[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 81446769
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine (CID 103586918) is N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine is Cc1cc(F)c(-c2ccc(CNC(C)C)s2)cc1F.
What is the InChIKey of N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is PSQKLCWEAQHZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-9(2)18-8-11-4-5-15(19-11)12-7-13(16)10(3)6-14(12)17/h4-7,9,18H,8H2,1-3H3.
What are the key properties of N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103586918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).