4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide

C14H21FN4 — CID 62887717

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC2CN(C)C)c(F)c1
InChIInChI=1S/C14H21FN4/c1-18(2)9-11-4-3-7-19(11)13-6-5-10(14(16)17)8-12(13)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,16,17)
InChIKeyFQTUBKYHYVWNFS-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.64
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide (PubChem CID 62887717) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
PubChem CID62887717
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC2CN(C)C)c(F)c1
InChIInChI=1S/C14H21FN4/c1-18(2)9-11-4-3-7-19(11)13-6-5-10(14(16)17)8-12(13)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,16,17)
InChIKeyFQTUBKYHYVWNFS-UHFFFAOYSA-N
XLogP1.64
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43658248
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
CID 62887739
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
3-bromo-4-(2-propylpiperidin-1-yl)benzenecarboximidamide
CID 83055859
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide (CID 62887717) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCC2CN(C)C)c(F)c1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide?
The InChIKey is FQTUBKYHYVWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-18(2)9-11-4-3-7-19(11)13-6-5-10(14(16)17)8-12(13)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,16,17).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide has a molecular weight of 264.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 62887717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).