N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine

C15H18FNS — CID 114078502

IUPACN-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
SMILESCc1ccsc1-c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H18FNS/c1-10(2)17-9-12-8-13(16)4-5-14(12)15-11(3)6-7-18-15/h4-8,10,17H,9H2,1-3H3
InChIKeyQUIRREGRSINVJY-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.36
Rot. Bonds4

About N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 114078502) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
PubChem CID114078502
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
SMILESCc1ccsc1-c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H18FNS/c1-10(2)17-9-12-8-13(16)4-5-14(12)15-11(3)6-7-18-15/h4-8,10,17H,9H2,1-3H3
InChIKeyQUIRREGRSINVJY-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-3-methylthiophene
CID 70359912
1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
CID 114068567
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893233
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931
N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761647
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine (CID 114078502) is N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine is Cc1ccsc1-c1ccc(F)cc1CNC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is QUIRREGRSINVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-10(2)17-9-12-8-13(16)4-5-14(12)15-11(3)6-7-18-15/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114078502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).