2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C15H19FN2O — CID 43679313

IUPAC2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2ccco2)cc1F
InChIInChI=1S/C15H19FN2O/c1-11(2)18(3)15-7-6-12(9-14(15)16)17-10-13-5-4-8-19-13/h4-9,11,17H,10H2,1-3H3
InChIKeySAJISFFHYMDCGX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.88
Rot. Bonds5

About 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679313) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679313
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2ccco2)cc1F
InChIInChI=1S/C15H19FN2O/c1-11(2)18(3)15-7-6-12(9-14(15)16)17-10-13-5-4-8-19-13/h4-9,11,17H,10H2,1-3H3
InChIKeySAJISFFHYMDCGX-UHFFFAOYSA-N
XLogP3.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679328
4-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 63426249
4-N-[(4,5-dibromothiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 102831985
5-[[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]methyl]thiophene-2-carbonitrile
CID 115675683
2-fluoro-1-N-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
CID 62749218
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 79570540
5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide
CID 70575607
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
1-chloro-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 55244680
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679313) is 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)N(C)c1ccc(NCc2ccco2)cc1F.
What is the InChIKey of 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is SAJISFFHYMDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(2)18(3)15-7-6-12(9-14(15)16)17-10-13-5-4-8-19-13/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 262.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).