2-chloro-6-(propan-2-ylamino)benzenecarboximidamide

C10H14ClN3 — CID 62497171

IUPAC2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1NC(C)C
InChIInChI=1S/C10H14ClN3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6,14H,1-2H3,(H3,12,13)
InChIKeyNVRNNKDHPQWXTQ-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide

2-chloro-6-(propan-2-ylamino)benzenecarboximidamide (PubChem CID 62497171) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
PubChem CID62497171
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1NC(C)C
InChIInChI=1S/C10H14ClN3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6,14H,1-2H3,(H3,12,13)
InChIKeyNVRNNKDHPQWXTQ-UHFFFAOYSA-N
XLogP2.44
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.44
H-Bond Donors ≤ 53
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

2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
CID 62946876
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(4-methylpentan-2-ylamino)benzenecarbothioamide
CID 62502774
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-chloro-6-(1-cyclopropylethylamino)benzenecarbothioamide
CID 62502790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide (CID 62497171) is 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1NC(C)C.
What is the InChIKey of 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide?
The InChIKey is NVRNNKDHPQWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6,14H,1-2H3,(H3,12,13).
What are the key properties of 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide?
2-chloro-6-(propan-2-ylamino)benzenecarboximidamide has a molecular weight of 211.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(propan-2-ylamino)benzenecarboximidamide is sourced from PubChem (CID 62497171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).