4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline

C10H13FN2 — CID 138645714

IUPAC4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NN(C)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2/c1-8(2)12-13(3)10-6-4-9(11)5-7-10/h4-7H,1-3H3
InChIKeyKGKOCSZYWUBBBR-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.66
Rot. Bonds2

About 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline

4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline (PubChem CID 138645714) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline
PubChem CID138645714
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NN(C)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2/c1-8(2)12-13(3)10-6-4-9(11)5-7-10/h4-7H,1-3H3
InChIKeyKGKOCSZYWUBBBR-UHFFFAOYSA-N
XLogP2.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline (CID 138645714) is 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline is CC(C)=NN(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline?
The InChIKey is KGKOCSZYWUBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-8(2)12-13(3)10-6-4-9(11)5-7-10/h4-7H,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline?
4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline has a molecular weight of 180.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 138645714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).