cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine

C15H19FN2 — CID 142452053

IUPACcyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine
SMILESC/N=C(\C)Cc1c(C)cc(C(N)=C2CC2)cc1F
InChIInChI=1S/C15H19FN2/c1-9-6-12(15(17)11-4-5-11)8-14(16)13(9)7-10(2)18-3/h6,8H,4-5,7,17H2,1-3H3/b18-10+
InChIKeyNXVFNJFZBMFNOE-VCHYOVAHSA-N
MW246.33 g/mol
LogP3.23
Rot. Bonds3

About cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine

cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine (PubChem CID 142452053) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine
PubChem CID142452053
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Namecyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine
SMILESC/N=C(\C)Cc1c(C)cc(C(N)=C2CC2)cc1F
InChIInChI=1S/C15H19FN2/c1-9-6-12(15(17)11-4-5-11)8-14(16)13(9)7-10(2)18-3/h6,8H,4-5,7,17H2,1-3H3/b18-10+
InChIKeyNXVFNJFZBMFNOE-VCHYOVAHSA-N
XLogP3.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
CID 170264537
3-fluoro-4-(hydroxymethyl)-5-methylbenzoic acid
CID 176697364
1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
CID 72575899
4-(aminomethyl)-3,5-difluoro-N'-methoxybenzenecarboximidamide;ethane
CID 145206830
ethyl 2-[4-(chloromethyl)-2-fluoro-6-methylphenyl]acetate
CID 171020315
ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide
CID 143831118
2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
CID 177031736
3-fluoro-4-[(2,4,6-trimethylphenyl)methoxy]benzenecarbothioamide
CID 107665785
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
ethyl 4-amino-3,5-difluorobenzoate
CID 90041574
4-(2,2-difluoroethoxy)-3,5-dimethylbenzenecarbothioamide
CID 65471348
3,5-difluoro-N'-hydroxy-4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 81287052

Frequently Asked Questions

What is the IUPAC name of cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine?
The IUPAC name of cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine (CID 142452053) is cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine.
What is the SMILES notation for cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine?
The canonical SMILES for cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine is C/N=C(\C)Cc1c(C)cc(C(N)=C2CC2)cc1F.
What is the InChIKey of cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine?
The InChIKey is NXVFNJFZBMFNOE-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H19FN2/c1-9-6-12(15(17)11-4-5-11)8-14(16)13(9)7-10(2)18-3/h6,8H,4-5,7,17H2,1-3H3/b18-10+.
What are the key properties of cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine?
cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine has a molecular weight of 246.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine is sourced from PubChem (CID 142452053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).