N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C16H21FN2S — CID 62134219

IUPACN'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(F)ccc1CNCC(c1cccs1)N(C)C
InChIInChI=1S/C16H21FN2S/c1-12-9-14(17)7-6-13(12)10-18-11-15(19(2)3)16-5-4-8-20-16/h4-9,15,18H,10-11H2,1-3H3
InChIKeyHGJSZQNYYDPZSX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.59
Rot. Bonds6

About N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 62134219) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID62134219
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(F)ccc1CNCC(c1cccs1)N(C)C
InChIInChI=1S/C16H21FN2S/c1-12-9-14(17)7-6-13(12)10-18-11-15(19(2)3)16-5-4-8-20-16/h4-9,15,18H,10-11H2,1-3H3
InChIKeyHGJSZQNYYDPZSX-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
CID 115951025
N'-[(4-bromo-3-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 66472183
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 62134219) is N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is Cc1cc(F)ccc1CNCC(c1cccs1)N(C)C.
What is the InChIKey of N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is HGJSZQNYYDPZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-12-9-14(17)7-6-13(12)10-18-11-15(19(2)3)16-5-4-8-20-16/h4-9,15,18H,10-11H2,1-3H3.
What are the key properties of N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 62134219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).