(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine

C12H15FN2 — CID 81277234

IUPAC(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(F)cc1C)N1CCCC1
InChIInChI=1S/C12H15FN2/c1-9-8-10(13)4-5-11(9)12(14)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3/b14-12-
InChIKeyRHJRMKREHFGKHH-OWBHPGMISA-N
MW206.26 g/mol
LogP2.56
Rot. Bonds1

About (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine

(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine (PubChem CID 81277234) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine
PubChem CID81277234
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(F)cc1C)N1CCCC1
InChIInChI=1S/C12H15FN2/c1-9-8-10(13)4-5-11(9)12(14)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3/b14-12-
InChIKeyRHJRMKREHFGKHH-OWBHPGMISA-N
XLogP2.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine
CID 107282840
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
(3-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanimine
CID 63179175
5-fluoro-N-(4-methylphenyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 89063340
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
N,N-diethyl-4-fluoro-2-methylbenzenecarboximidamide
CID 81278294
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
CID 63179479
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine (CID 81277234) is (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(/c1ccc(F)cc1C)N1CCCC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is RHJRMKREHFGKHH-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15FN2/c1-9-8-10(13)4-5-11(9)12(14)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3/b14-12-.
What are the key properties of (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine?
(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 206.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 81277234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).