4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine

C15H16F2N2 — CID 63234183

IUPAC4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
SMILESCCN(Cc1ccc(F)cc1F)c1ccc(N)cc1
InChIInChI=1S/C15H16F2N2/c1-2-19(14-7-5-13(18)6-8-14)10-11-3-4-12(16)9-15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyBQTREQIMBXOJLD-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.57
Rot. Bonds4

About 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine

4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine (PubChem CID 63234183) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
PubChem CID63234183
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
SMILESCCN(Cc1ccc(F)cc1F)c1ccc(N)cc1
InChIInChI=1S/C15H16F2N2/c1-2-19(14-7-5-13(18)6-8-14)10-11-3-4-12(16)9-15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyBQTREQIMBXOJLD-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
4-N-[(4-chloro-2-fluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 114850000
4-N-[(5-fluoro-2-methylphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105372026
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 107882083
N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
CID 141088267
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine (CID 63234183) is 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine is CCN(Cc1ccc(F)cc1F)c1ccc(N)cc1.
What is the InChIKey of 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine?
The InChIKey is BQTREQIMBXOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-19(14-7-5-13(18)6-8-14)10-11-3-4-12(16)9-15(11)17/h3-9H,2,10,18H2,1H3.
What are the key properties of 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine?
4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 63234183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).