2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide

C12H18ClN3O — CID 62496817

IUPAC2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCC)CCO
InChIInChI=1S/C12H18ClN3O/c1-2-6-16(7-8-17)10-5-3-4-9(13)11(10)12(14)15/h3-5,17H,2,6-8H2,1H3,(H3,14,15)
InChIKeyFEVCCKHOXKLKJW-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.83
Rot. Bonds6

About 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide

2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide (PubChem CID 62496817) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
PubChem CID62496817
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCC)CCO
InChIInChI=1S/C12H18ClN3O/c1-2-6-16(7-8-17)10-5-3-4-9(13)11(10)12(14)15/h3-5,17H,2,6-8H2,1H3,(H3,14,15)
InChIKeyFEVCCKHOXKLKJW-UHFFFAOYSA-N
XLogP1.83
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.83
H-Bond Donors ≤ 53
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

2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480225
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
CID 62496653
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzonitrile
CID 62497864
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide (CID 62496817) is 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CCC)CCO.
What is the InChIKey of 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide?
The InChIKey is FEVCCKHOXKLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-6-16(7-8-17)10-5-3-4-9(13)11(10)12(14)15/h3-5,17H,2,6-8H2,1H3,(H3,14,15).
What are the key properties of 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide?
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide has a molecular weight of 255.75 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62496817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).