4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine

C10H13FN2 — CID 123421965

IUPAC4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)c(F)cc1C1CC1
InChIInChI=1S/C10H13FN2/c1-13-10-5-9(12)8(11)4-7(10)6-2-3-6/h4-6,13H,2-3,12H2,1H3
InChIKeyAZXPKHXBHWMNBN-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.33
Rot. Bonds2

About 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine

4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine (PubChem CID 123421965) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine
PubChem CID123421965
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)c(F)cc1C1CC1
InChIInChI=1S/C10H13FN2/c1-13-10-5-9(12)8(11)4-7(10)6-2-3-6/h4-6,13H,2-3,12H2,1H3
InChIKeyAZXPKHXBHWMNBN-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine (CID 123421965) is 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine is CNc1cc(N)c(F)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine?
The InChIKey is AZXPKHXBHWMNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-10-5-9(12)8(11)4-7(10)6-2-3-6/h4-6,13H,2-3,12H2,1H3.
What are the key properties of 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine?
4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine has a molecular weight of 180.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 123421965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).