N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C16H20FNS — CID 63048599

IUPACN-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cc(F)ccc1C
InChIInChI=1S/C16H20FNS/c1-4-9-18-16(15-8-6-12(3)19-15)14-10-13(17)7-5-11(14)2/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyREBYTZSJSYIYCG-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.59
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 63048599) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID63048599
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cc(F)ccc1C
InChIInChI=1S/C16H20FNS/c1-4-9-18-16(15-8-6-12(3)19-15)14-10-13(17)7-5-11(14)2/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyREBYTZSJSYIYCG-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115851788
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 63048599) is N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)s1)c1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is REBYTZSJSYIYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-4-9-18-16(15-8-6-12(3)19-15)14-10-13(17)7-5-11(14)2/h5-8,10,16,18H,4,9H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63048599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).