3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine

C14H15FN2 — CID 60875163

IUPAC3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
SMILESCN(Cc1ccccc1)c1cc(N)cc(F)c1
InChIInChI=1S/C14H15FN2/c1-17(10-11-5-3-2-4-6-11)14-8-12(15)7-13(16)9-14/h2-9H,10,16H2,1H3
InChIKeyHSZKOYWFPZSJHJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.04
Rot. Bonds3

About 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine

3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine (PubChem CID 60875163) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
PubChem CID60875163
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
SMILESCN(Cc1ccccc1)c1cc(N)cc(F)c1
InChIInChI=1S/C14H15FN2/c1-17(10-11-5-3-2-4-6-11)14-8-12(15)7-13(16)9-14/h2-9H,10,16H2,1H3
InChIKeyHSZKOYWFPZSJHJ-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.04
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

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CID 72075
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Despropionyl meta-fluorofentanyl
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Depramine
CID 67534
2-amino-N-cyclohexyl-N-methylbenzylamine
CID 93648
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919
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CID 70865
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CID 79403
N-Benzyl-N-ethyl-m-toluidine
CID 67076

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine (CID 60875163) is 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine is CN(Cc1ccccc1)c1cc(N)cc(F)c1.
What is the InChIKey of 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine?
The InChIKey is HSZKOYWFPZSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-17(10-11-5-3-2-4-6-11)14-8-12(15)7-13(16)9-14/h2-9H,10,16H2,1H3.
What are the key properties of 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine?
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 60875163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).