4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine

C18H23FN2 — CID 62120225

IUPAC4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(5-2)17-9-7-16(8-10-17)20-13-15-6-11-18(19)14(3)12-15/h6-12,20H,4-5,13H2,1-3H3
InChIKeyHRJPQCFMRHSDJU-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.59
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 62120225) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID62120225
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(5-2)17-9-7-16(8-10-17)20-13-15-6-11-18(19)14(3)12-15/h6-12,20H,4-5,13H2,1-3H3
InChIKeyHRJPQCFMRHSDJU-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 66475010
1-N-[(3-bromo-4-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 105401165
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline
CID 28968123
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
N-[[4-(diethylamino)phenyl]methyl]-3-fluoro-2-methylaniline
CID 63454872
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
3-bromo-N-[[4-(diethylamino)phenyl]methyl]-5-methylaniline
CID 107582087
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
CID 62120757
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine (CID 62120225) is 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is HRJPQCFMRHSDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(5-2)17-9-7-16(8-10-17)20-13-15-6-11-18(19)14(3)12-15/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 286.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 62120225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).