4-chloro-2-(ethylamino)benzenecarboximidamide

C9H12ClN3 — CID 63094553

IUPAC4-chloro-2-(ethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1NCC
InChIInChI=1S/C9H12ClN3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,13H,2H2,1H3,(H3,11,12)
InChIKeyAZEAJIGZABNJKI-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.06
Rot. Bonds3

About 4-chloro-2-(ethylamino)benzenecarboximidamide

4-chloro-2-(ethylamino)benzenecarboximidamide (PubChem CID 63094553) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-chloro-2-(ethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(ethylamino)benzenecarboximidamide
PubChem CID63094553
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-chloro-2-(ethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1NCC
InChIInChI=1S/C9H12ClN3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,13H,2H2,1H3,(H3,11,12)
InChIKeyAZEAJIGZABNJKI-UHFFFAOYSA-N
XLogP2.06
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.06
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

1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(ethylamino)phenol
CID 15847212
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylamino)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(ethylamino)benzenecarboximidamide (CID 63094553) is 4-chloro-2-(ethylamino)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(ethylamino)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(ethylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1NCC.
What is the InChIKey of 4-chloro-2-(ethylamino)benzenecarboximidamide?
The InChIKey is AZEAJIGZABNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,13H,2H2,1H3,(H3,11,12).
What are the key properties of 4-chloro-2-(ethylamino)benzenecarboximidamide?
4-chloro-2-(ethylamino)benzenecarboximidamide has a molecular weight of 197.67 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylamino)benzenecarboximidamide is sourced from PubChem (CID 63094553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).