4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide

C16H17ClN2O2 — CID 63094383

IUPAC4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCCC
InChIInChI=1S/C16H17ClN2O2/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H3,18,19)
InChIKeyBUOSSWYVNZGQQF-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.21
Rot. Bonds6

About 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide

4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide (PubChem CID 63094383) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
PubChem CID63094383
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCCC
InChIInChI=1S/C16H17ClN2O2/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H3,18,19)
InChIKeyBUOSSWYVNZGQQF-UHFFFAOYSA-N
XLogP4.21
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326458
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide (CID 63094383) is 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCCC.
What is the InChIKey of 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide?
The InChIKey is BUOSSWYVNZGQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H3,18,19).
What are the key properties of 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide?
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63094383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).