N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline

C11H15FN2 — CID 139783651

IUPACN-(butan-2-ylideneamino)-4-fluoro-N-methylaniline
SMILESCCC(C)=NN(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-4-9(2)13-14(3)11-7-5-10(12)6-8-11/h5-8H,4H2,1-3H3
InChIKeyWXCNHTPRVWPIGU-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.05
Rot. Bonds3

About N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline

N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline (PubChem CID 139783651) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-4-fluoro-N-methylaniline
PubChem CID139783651
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-(butan-2-ylideneamino)-4-fluoro-N-methylaniline
SMILESCCC(C)=NN(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-4-9(2)13-14(3)11-7-5-10(12)6-8-11/h5-8H,4H2,1-3H3
InChIKeyWXCNHTPRVWPIGU-UHFFFAOYSA-N
XLogP3.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.05
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'}

Analyze N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-[(Z)-butan-2-ylideneamino]-4-fluoroanilino)propanoic acid;ethane
CID 143260919
N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline
CID 142923012
4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
CID 170134397
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
CID 134579409
N,N-diethyl-4-fluoroaniline
CID 592416
4-fluoro-N-methyl-N-propylaniline
CID 23197529
(Z)-2-[(Z)-N-(4-bromo-N-methylanilino)-C-methylcarbonimidoyl]-1-(4-fluorophenyl)but-2-en-1-one
CID 143869146
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
CID 62639237
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
N-butyl-4-fluoro-N-methylaniline
CID 70573878
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
CID 116510824

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline?
The IUPAC name of N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline (CID 139783651) is N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline.
What is the SMILES notation for N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline?
The canonical SMILES for N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline is CCC(C)=NN(C)c1ccc(F)cc1.
What is the InChIKey of N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline?
The InChIKey is WXCNHTPRVWPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-4-9(2)13-14(3)11-7-5-10(12)6-8-11/h5-8H,4H2,1-3H3.
What are the key properties of N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline?
N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline has a molecular weight of 194.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline is sourced from PubChem (CID 139783651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).