2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide

C12H15ClN2O — CID 114323500

IUPAC2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCC1CCC1
InChIInChI=1S/C12H15ClN2O/c13-9-5-2-6-10(11(9)12(14)15)16-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,14,15)
InChIKeyZRXFTDJUQSYRME-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide

2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide (PubChem CID 114323500) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
PubChem CID114323500
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCC1CCC1
InChIInChI=1S/C12H15ClN2O/c13-9-5-2-6-10(11(9)12(14)15)16-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,14,15)
InChIKeyZRXFTDJUQSYRME-UHFFFAOYSA-N
XLogP2.80
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.80
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-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
CID 62495370
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64744981
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
CID 113277395
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide (CID 114323500) is 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCC1CCC1.
What is the InChIKey of 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide?
The InChIKey is ZRXFTDJUQSYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-9-5-2-6-10(11(9)12(14)15)16-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,14,15).
What are the key properties of 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide?
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide has a molecular weight of 238.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 114323500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).