4-[(4-fluorophenyl)methyl-methylamino]butanimidamide

C12H18FN3 — CID 61413635

IUPAC4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FN3/c1-16(8-2-3-12(14)15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H3,14,15)
InChIKeyKJIDPQLXIIQEBZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.97
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide

4-[(4-fluorophenyl)methyl-methylamino]butanimidamide (PubChem CID 61413635) has the molecular formula C12H18FN3 and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
PubChem CID61413635
Molecular FormulaC12H18FN3
Molecular Weight223.30 g/mol
Exact Mass223.15
IUPAC Name4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FN3/c1-16(8-2-3-12(14)15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H3,14,15)
InChIKeyKJIDPQLXIIQEBZ-UHFFFAOYSA-N
XLogP1.97
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanimidamide
CID 114346088
2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 65495003
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide (CID 61413635) is 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide is [H]/N=C(\N)CCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide?
The InChIKey is KJIDPQLXIIQEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-16(8-2-3-12(14)15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H3,14,15).
What are the key properties of 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide?
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide has a molecular weight of 223.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 61413635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).