4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide

C14H22ClN3O — CID 63094375

IUPAC4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCO)C(CC)CC
InChIInChI=1S/C14H22ClN3O/c1-3-11(4-2)18(7-8-19)13-9-10(15)5-6-12(13)14(16)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H3,16,17)
InChIKeyVSTKXFDLDXQQDD-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.61
Rot. Bonds7

About 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide

4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide (PubChem CID 63094375) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
PubChem CID63094375
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCO)C(CC)CC
InChIInChI=1S/C14H22ClN3O/c1-3-11(4-2)18(7-8-19)13-9-10(15)5-6-12(13)14(16)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H3,16,17)
InChIKeyVSTKXFDLDXQQDD-UHFFFAOYSA-N
XLogP2.61
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.61
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'}

Analyze 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76984936
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
4-chloro-2-[2-hydroxyethyl(propan-2-yl)amino]benzenecarbothioamide
CID 63093673
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide (CID 63094375) is 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCO)C(CC)CC.
What is the InChIKey of 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The InChIKey is VSTKXFDLDXQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-11(4-2)18(7-8-19)13-9-10(15)5-6-12(13)14(16)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H3,16,17).
What are the key properties of 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide has a molecular weight of 283.80 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 63094375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).