3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide

C15H24ClN3O — CID 102667838

IUPAC3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCOC)CC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11(2)9-19(6-7-20-3)10-13-5-4-12(15(17)18)8-14(13)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyCXISGJUPQFBNPE-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.73
Rot. Bonds8

About 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide

3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide (PubChem CID 102667838) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
PubChem CID102667838
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCOC)CC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11(2)9-19(6-7-20-3)10-13-5-4-12(15(17)18)8-14(13)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyCXISGJUPQFBNPE-UHFFFAOYSA-N
XLogP2.73
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.73
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

4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829
4-[[bis(2-methylpropyl)amino]methyl]-3-chlorobenzenecarbothioamide
CID 102666086
3-chloro-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 102668091
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
4-[[bis(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669921
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
3-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 102668007
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide (CID 102667838) is 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CCOC)CC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide?
The InChIKey is CXISGJUPQFBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)9-19(6-7-20-3)10-13-5-4-12(15(17)18)8-14(13)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide?
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide has a molecular weight of 297.83 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102667838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).