4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C16H18ClFN2 — CID 43226967

IUPAC4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN2/c1-11(12-4-7-14(18)8-5-12)19-15-10-13(17)6-9-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeyIQAHMJVOZOHWKN-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.72
Rot. Bonds4

About 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43226967) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43226967
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN2/c1-11(12-4-7-14(18)8-5-12)19-15-10-13(17)6-9-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeyIQAHMJVOZOHWKN-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43226967) is 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is IQAHMJVOZOHWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(12-4-7-14(18)8-5-12)19-15-10-13(17)6-9-16(15)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43226967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).