4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide

C12H16FN3 — CID 60983822

IUPAC4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CC2)c(F)c1
InChIInChI=1S/C12H16FN3/c1-16(7-8-2-3-8)11-5-4-9(12(14)15)6-10(11)13/h4-6,8H,2-3,7H2,1H3,(H3,14,15)
InChIKeyYNAIALUTYLSGJC-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.96
Rot. Bonds4

About 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide

4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide (PubChem CID 60983822) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
PubChem CID60983822
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CC2)c(F)c1
InChIInChI=1S/C12H16FN3/c1-16(7-8-2-3-8)11-5-4-9(12(14)15)6-10(11)13/h4-6,8H,2-3,7H2,1H3,(H3,14,15)
InChIKeyYNAIALUTYLSGJC-UHFFFAOYSA-N
XLogP1.96
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.96
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

3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
3-bromo-4-[cyclopentylmethyl(methyl)amino]benzenecarboximidamide
CID 82799214
4-[cyclohexylmethyl(methyl)amino]-3-fluorobenzenecarbothioamide
CID 61447014
2-bromo-4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 107536349
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide (CID 60983822) is 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CC2)c(F)c1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide?
The InChIKey is YNAIALUTYLSGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-16(7-8-2-3-8)11-5-4-9(12(14)15)6-10(11)13/h4-6,8H,2-3,7H2,1H3,(H3,14,15).
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide?
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide has a molecular weight of 221.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 60983822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).