3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine

C14H14ClFN2 — CID 104834154

IUPAC3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccccc1F)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-5-2-3-7-12(10)16)13-8-4-6-11(15)14(13)17/h2-8H,9,17H2,1H3
InChIKeyXGGUJIKHEDRIQE-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine

3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine (PubChem CID 104834154) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
PubChem CID104834154
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccccc1F)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-5-2-3-7-12(10)16)13-8-4-6-11(15)14(13)17/h2-8H,9,17H2,1H3
InChIKeyXGGUJIKHEDRIQE-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.70
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

3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 63540974
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
3-chloro-2-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63747627
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine (CID 104834154) is 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine is CN(Cc1ccccc1F)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is XGGUJIKHEDRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(9-10-5-2-3-7-12(10)16)13-8-4-6-11(15)14(13)17/h2-8H,9,17H2,1H3.
What are the key properties of 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 104834154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).