2-chloro-4-hexoxybenzenecarboximidamide

C13H19ClN2O — CID 62948385

IUPAC2-chloro-4-hexoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCC)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-3-4-5-8-17-10-6-7-11(13(15)16)12(14)9-10/h6-7,9H,2-5,8H2,1H3,(H3,15,16)
InChIKeyOQTULCMEAVHLCF-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.58
Rot. Bonds7

About 2-chloro-4-hexoxybenzenecarboximidamide

2-chloro-4-hexoxybenzenecarboximidamide (PubChem CID 62948385) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-hexoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-hexoxybenzenecarboximidamide
PubChem CID62948385
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-hexoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCC)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-3-4-5-8-17-10-6-7-11(13(15)16)12(14)9-10/h6-7,9H,2-5,8H2,1H3,(H3,15,16)
InChIKeyOQTULCMEAVHLCF-UHFFFAOYSA-N
XLogP3.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-heptoxybenzenecarboximidamide
CID 107279546
2-bromo-4-octoxybenzenecarboximidamide
CID 107279553
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
4-octoxybenzenecarboximidamide
CID 3302492
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554
4-butoxybenzenecarboximidamide
CID 3015454
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
1,2,3-trichloro-5-heptoxybenzene
CID 101293566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hexoxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-hexoxybenzenecarboximidamide (CID 62948385) is 2-chloro-4-hexoxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-hexoxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-hexoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCC)cc1Cl.
What is the InChIKey of 2-chloro-4-hexoxybenzenecarboximidamide?
The InChIKey is OQTULCMEAVHLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-3-4-5-8-17-10-6-7-11(13(15)16)12(14)9-10/h6-7,9H,2-5,8H2,1H3,(H3,15,16).
What are the key properties of 2-chloro-4-hexoxybenzenecarboximidamide?
2-chloro-4-hexoxybenzenecarboximidamide has a molecular weight of 254.76 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hexoxybenzenecarboximidamide is sourced from PubChem (CID 62948385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).