2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine

C18H23FN2 — CID 43679298

IUPAC2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCc1cccc(CNc2ccc(N(C)C(C)C)c(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-13(2)21(4)18-9-8-16(11-17(18)19)20-12-15-7-5-6-14(3)10-15/h5-11,13,20H,12H2,1-4H3
InChIKeyZYDKPLWGOZLRIU-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.59
Rot. Bonds5

About 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine

2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679298) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679298
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCc1cccc(CNc2ccc(N(C)C(C)C)c(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-13(2)21(4)18-9-8-16(11-17(18)19)20-12-15-7-5-6-14(3)10-15/h5-11,13,20H,12H2,1-4H3
InChIKeyZYDKPLWGOZLRIU-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679328
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
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-[(5-methyl-1H-imidazol-4-yl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
CID 62749218
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679319
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
4-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679282
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 79570540
4-N-[(4,5-dibromothiophen-2-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 102831985
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679298) is 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine is Cc1cccc(CNc2ccc(N(C)C(C)C)c(F)c2)c1.
What is the InChIKey of 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is ZYDKPLWGOZLRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13(2)21(4)18-9-8-16(11-17(18)19)20-12-15-7-5-6-14(3)10-15/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine?
2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 286.39 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 2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).