4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide

C15H19BrFN3 — CID 107536514

IUPAC4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC2CC2)CC2CC2)c(F)c1Br
InChIInChI=1S/C15H19BrFN3/c16-13-11(15(18)19)5-6-12(14(13)17)20(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H3,18,19)
InChIKeyOUOHKNOQISZXLP-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.50
Rot. Bonds6

About 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide

4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide (PubChem CID 107536514) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide
PubChem CID107536514
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC2CC2)CC2CC2)c(F)c1Br
InChIInChI=1S/C15H19BrFN3/c16-13-11(15(18)19)5-6-12(14(13)17)20(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H3,18,19)
InChIKeyOUOHKNOQISZXLP-UHFFFAOYSA-N
XLogP3.50
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.50
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

2-bromo-4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 107536349
2-bromo-4-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzenecarboximidamide
CID 107536413
2-bromo-4-[3-(dimethylamino)propyl-ethylamino]-3-fluorobenzenecarboximidamide
CID 107536608
2-bromo-4-[cyclopropylmethyl(propyl)amino]-3-fluorobenzoic acid
CID 107540182
2-bromo-3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 107536524
2-bromo-3-fluoro-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107536617
2-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-3-fluorobenzenecarboximidamide
CID 107536550
2-bromo-3-fluoro-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 107536523
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107536326
2-bromo-4-[ethyl(1-methoxypropan-2-yl)amino]-3-fluorobenzenecarboximidamide
CID 107536427
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
2-bromo-3-fluoro-4-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 107536321

Frequently Asked Questions

What is the IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide (CID 107536514) is 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC2CC2)CC2CC2)c(F)c1Br.
What is the InChIKey of 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide?
The InChIKey is OUOHKNOQISZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c16-13-11(15(18)19)5-6-12(14(13)17)20(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H3,18,19).
What are the key properties of 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide?
4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide has a molecular weight of 340.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(cyclopropylmethyl)amino]-2-bromo-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).