4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine

C15H16ClFN2 — CID 156868277

IUPAC4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCNc1ccc(Nc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C15H16ClFN2/c1-3-18-14-7-5-12(8-10(14)2)19-15-6-4-11(17)9-13(15)16/h4-9,18-19H,3H2,1-2H3
InChIKeyMISLSJBXGPXPKH-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.96
Rot. Bonds4

About 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine

4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine (PubChem CID 156868277) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
PubChem CID156868277
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCNc1ccc(Nc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C15H16ClFN2/c1-3-18-14-7-5-12(8-10(14)2)19-15-6-4-11(17)9-13(15)16/h4-9,18-19H,3H2,1-2H3
InChIKeyMISLSJBXGPXPKH-UHFFFAOYSA-N
XLogP4.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-chloro-4-fluorophenyl)-1-N-[[3-(diethylaminomethyl)oxetan-3-yl]methyl]-2-methylbenzene-1,4-diamine
CID 156801817
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
4-N-(2-chloro-4-fluorophenyl)-2-methyl-1-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-ylmethyl)propyl]benzene-1,4-diamine
CID 156563795
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
CID 71038618
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine (CID 156868277) is 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine is CCNc1ccc(Nc2ccc(F)cc2Cl)cc1C.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The InChIKey is MISLSJBXGPXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-3-18-14-7-5-12(8-10(14)2)19-15-6-4-11(17)9-13(15)16/h4-9,18-19H,3H2,1-2H3.
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine has a molecular weight of 278.76 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 156868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).