4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C17H21FN2 — CID 43679328

IUPAC4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2ccccc2)cc1F
InChIInChI=1S/C17H21FN2/c1-13(2)20(3)17-10-9-15(11-16(17)18)19-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3
InChIKeyZZPJVIXPWXXQQA-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.28
Rot. Bonds5

About 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679328) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679328
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2ccccc2)cc1F
InChIInChI=1S/C17H21FN2/c1-13(2)20(3)17-10-9-15(11-16(17)18)19-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3
InChIKeyZZPJVIXPWXXQQA-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679298
2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679313
4-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 63426249
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679319
4-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679282
N-benzyl-3,4-difluoroaniline
CID 21321396
4-N-[(4,5-dibromothiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 102831985
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-[[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]methyl]thiophene-2-carbonitrile
CID 115675683
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679328) is 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)N(C)c1ccc(NCc2ccccc2)cc1F.
What is the InChIKey of 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is ZZPJVIXPWXXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(2)20(3)17-10-9-15(11-16(17)18)19-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 272.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).