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

C16H19FN2 — CID 63062748

IUPAC3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-11-15(18)9-6-10-16(11)19(3)12(2)13-7-4-5-8-14(13)17/h4-10,12H,18H2,1-3H3
InChIKeyONKCVQYMVOSNNU-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.91
Rot. Bonds3

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

3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 63062748) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID63062748
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-11-15(18)9-6-10-16(11)19(3)12(2)13-7-4-5-8-14(13)17/h4-10,12H,18H2,1-3H3
InChIKeyONKCVQYMVOSNNU-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.91
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

4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659
2-bromo-6-[1-(2-fluorophenyl)ethyl-methylamino]benzonitrile
CID 114880995
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
CID 63536816
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile
CID 107106853
5-N-[1-(2-fluorophenyl)ethyl]-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62978278
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine (CID 63062748) is 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine is Cc1c(N)cccc1N(C)C(C)c1ccccc1F.
What is the InChIKey of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is ONKCVQYMVOSNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-15(18)9-6-10-16(11)19(3)12(2)13-7-4-5-8-14(13)17/h4-10,12H,18H2,1-3H3.
What are the key properties of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine?
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 63062748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).