3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide

C10H12Cl2N2 — CID 107918188

IUPAC3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyGQBOJUZSGPFPMS-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.11
Rot. Bonds2

About 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide

3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 107918188) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
PubChem CID107918188
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyGQBOJUZSGPFPMS-UHFFFAOYSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-tert-butyl-3,5-dichlorobenzenecarboximidamide
CID 107918190
N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide
CID 143625634
3,5-dichloro-N'-propylbenzenecarboximidamide
CID 107918187
4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide
CID 102026983
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
5-phenyl-N'-propan-2-ylfuran-3-carboximidamide
CID 57264324
N'-propan-2-yl-3-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]butoxy]benzenecarboximidamide;dihydrochloride
CID 90664305
N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 45260713
1-(4-chlorophenyl)-2-methyl-N-propan-2-ylpropan-1-imine
CID 101048024
propan-2-yl 3,5-dichlorobenzoate
CID 60642653
N'-(3,5-dichlorophenyl)ethanimidamide
CID 63173176
4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
CID 23083525

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide (CID 107918188) is 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is GQBOJUZSGPFPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide?
3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 231.13 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 107918188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).