3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine

C13H13FN2 — CID 117027175

IUPAC3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
SMILESCNc1cccc(Nc2cccc(F)c2)c1
InChIInChI=1S/C13H13FN2/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h2-9,15-16H,1H3
InChIKeyLVZBPZPQRNMENA-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.61
Rot. Bonds3

About 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine

3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine (PubChem CID 117027175) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
PubChem CID117027175
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
SMILESCNc1cccc(Nc2cccc(F)c2)c1
InChIInChI=1S/C13H13FN2/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h2-9,15-16H,1H3
InChIKeyLVZBPZPQRNMENA-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2759011
3-fluoro-N-methylaniline;molecular hydrogen
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3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine (CID 117027175) is 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine is CNc1cccc(Nc2cccc(F)c2)c1.
What is the InChIKey of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine?
The InChIKey is LVZBPZPQRNMENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h2-9,15-16H,1H3.
What are the key properties of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine?
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 117027175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).