5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide

C16H18ClN3 — CID 62493758

IUPAC5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C16H18ClN3/c1-3-20(13-6-4-5-11(2)9-13)15-8-7-12(17)10-14(15)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19)
InChIKeyBDSQARZFQVRKJY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.09
Rot. Bonds4

About 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide

5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide (PubChem CID 62493758) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
PubChem CID62493758
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C16H18ClN3/c1-3-20(13-6-4-5-11(2)9-13)15-8-7-12(17)10-14(15)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19)
InChIKeyBDSQARZFQVRKJY-UHFFFAOYSA-N
XLogP4.09
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.09
H-Bond Donors ≤ 52
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-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692
5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 62494273
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide (CID 62493758) is 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(CC)c1cccc(C)c1.
What is the InChIKey of 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The InChIKey is BDSQARZFQVRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-3-20(13-6-4-5-11(2)9-13)15-8-7-12(17)10-14(15)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19).
What are the key properties of 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide has a molecular weight of 287.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 62493758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).