2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide

C18H20F2N2 — CID 123262080

IUPAC2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/Cc2ccc(C(C)(C)F)cc2)c1F
InChIInChI=1S/C18H20F2N2/c1-12-5-4-6-15(16(12)19)17(21)22-11-13-7-9-14(10-8-13)18(2,3)20/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyAKKZMBILFSXDAY-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.24
Rot. Bonds4

About 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide

2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide (PubChem CID 123262080) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide
PubChem CID123262080
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/Cc2ccc(C(C)(C)F)cc2)c1F
InChIInChI=1S/C18H20F2N2/c1-12-5-4-6-15(16(12)19)17(21)22-11-13-7-9-14(10-8-13)18(2,3)20/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyAKKZMBILFSXDAY-UHFFFAOYSA-N
XLogP4.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.24
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

8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9873870
(E)-N'-benzyl-3-(4-fluorophenyl)prop-2-enimidamide
CID 9921317
(E)-3-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enimidamide
CID 9922486
(E)-N'-benzyl-3-(3,4-difluorophenyl)prop-2-enimidamide
CID 9943403
8-Fluoro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 10445220
N-Phenethyl-benzamidine
CID 12511926
N'-benzylnaphthalene-2-carboximidamide
CID 20706473
4-[4-(4-Carbamimidoylphenyl)-3-fluorophenyl]benzenecarboximidamide
CID 11849614
N-(3,5-Dimethyl-benzyl)-4-trifluoromethyl-benzamidine
CID 44374616
4-Trifluoromethyl-N-(3-trifluoromethyl-benzyl)-benzamidine
CID 44374617
N-benzyl-4-(trifluoromethyl)benzene-1-carboximidamide
CID 44374892
N'-[12-[[amino-[4-(trifluoromethyl)phenyl]methylidene]amino]dodecyl]-4-(trifluoromethyl)benzenecarboximidamide;dihydrochloride
CID 52944106

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide (CID 123262080) is 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/Cc2ccc(C(C)(C)F)cc2)c1F.
What is the InChIKey of 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is AKKZMBILFSXDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-12-5-4-6-15(16(12)19)17(21)22-11-13-7-9-14(10-8-13)18(2,3)20/h4-10H,11H2,1-3H3,(H2,21,22).
What are the key properties of 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide?
2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 302.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[[4-(2-fluoropropan-2-yl)phenyl]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 123262080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).