1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

C16H19FN2 — CID 43587749

IUPAC1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(F)cc1N
InChIInChI=1S/C16H19FN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(17)10-15(16)18/h4-10H,3,11,18H2,1-2H3
InChIKeyIIWPTKLOSHWTIQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.74
Rot. Bonds4

About 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 43587749) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID43587749
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(F)cc1N
InChIInChI=1S/C16H19FN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(17)10-15(16)18/h4-10H,3,11,18H2,1-2H3
InChIKeyIIWPTKLOSHWTIQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (CID 43587749) is 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is CCN(Cc1ccccc1C)c1ccc(F)cc1N.
What is the InChIKey of 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is IIWPTKLOSHWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(17)10-15(16)18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 43587749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).