1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C16H18ClFN2 — CID 83069930

IUPAC1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1ccccc1N(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(12-8-9-13(17)14(18)10-12)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeyLEZFLLVFBQVPJM-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.72
Rot. Bonds4

About 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 83069930) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID83069930
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1ccccc1N(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(12-8-9-13(17)14(18)10-12)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeyLEZFLLVFBQVPJM-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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Related Compounds

2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 43726515
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43787276
N-[1-(4-chloro-3-fluorophenyl)ethyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 83068901
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 83069930) is 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CC(Nc1ccccc1N(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is LEZFLLVFBQVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(12-8-9-13(17)14(18)10-12)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-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 1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 83069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).