4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide

C13H20ClN3O — CID 107200134

IUPAC4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)CCCCCO
InChIInChI=1S/C13H20ClN3O/c1-17(7-3-2-4-8-18)12-9-10(14)5-6-11(12)13(15)16/h5-6,9,18H,2-4,7-8H2,1H3,(H3,15,16)
InChIKeyWCHCLCUQDGGVDS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.22
Rot. Bonds7

About 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide

4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide (PubChem CID 107200134) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
PubChem CID107200134
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)CCCCCO
InChIInChI=1S/C13H20ClN3O/c1-17(7-3-2-4-8-18)12-9-10(14)5-6-11(12)13(15)16/h5-6,9,18H,2-4,7-8H2,1H3,(H3,15,16)
InChIKeyWCHCLCUQDGGVDS-UHFFFAOYSA-N
XLogP2.22
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-bromo-3-fluoro-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107536617
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzenecarboximidamide
CID 63092842

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide (CID 107200134) is 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(C)CCCCCO.
What is the InChIKey of 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide?
The InChIKey is WCHCLCUQDGGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17(7-3-2-4-8-18)12-9-10(14)5-6-11(12)13(15)16/h5-6,9,18H,2-4,7-8H2,1H3,(H3,15,16).
What are the key properties of 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide?
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide has a molecular weight of 269.78 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107200134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).