N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide

C15H21ClN2O — CID 103293426

IUPACN'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
SMILESCOc1cccc(Cl)c1C/N=C(\N)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,17,18)
InChIKeyQWBFGALDZKLOKG-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.79
Rot. Bonds4

About N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide

N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide (PubChem CID 103293426) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
PubChem CID103293426
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
SMILESCOc1cccc(Cl)c1C/N=C(\N)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,17,18)
InChIKeyQWBFGALDZKLOKG-UHFFFAOYSA-N
XLogP3.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
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

N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide
CID 103293425
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
trans-(1R,3R)-3-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
CID 99714639
2-[(2-chloro-6-methoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)guanidine
CID 67532074
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
CID 63173820
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine
CID 136933962

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide (CID 103293426) is N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide is COc1cccc(Cl)c1C/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide?
The InChIKey is QWBFGALDZKLOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,17,18).
What are the key properties of N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide?
N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide is sourced from PubChem (CID 103293426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).