2-[(4-cyclohexyloxyphenyl)methyl]guanidine

C14H21N3O — CID 110917755

IUPAC2-[(4-cyclohexyloxyphenyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c15-14(16)17-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H4,15,16,17)
InChIKeyNUMFHVKHRZXXBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[(4-cyclohexyloxyphenyl)methyl]guanidine

2-[(4-cyclohexyloxyphenyl)methyl]guanidine (PubChem CID 110917755) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(4-cyclohexyloxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(4-cyclohexyloxyphenyl)methyl]guanidine
PubChem CID110917755
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(4-cyclohexyloxyphenyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c15-14(16)17-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H4,15,16,17)
InChIKeyNUMFHVKHRZXXBH-UHFFFAOYSA-N
XLogP2.17
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
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-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine
CID 111094676
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111094675
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
4-cycloheptyloxybenzamide
CID 141109251
4-cycloheptyloxyphenol
CID 67178425
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
CID 43093796
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]guanidine?
The IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]guanidine (CID 110917755) is 2-[(4-cyclohexyloxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-[(4-cyclohexyloxyphenyl)methyl]guanidine?
The canonical SMILES for 2-[(4-cyclohexyloxyphenyl)methyl]guanidine is NC(N)=NCc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexyloxyphenyl)methyl]guanidine?
The InChIKey is NUMFHVKHRZXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(16)17-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H4,15,16,17).
What are the key properties of 2-[(4-cyclohexyloxyphenyl)methyl]guanidine?
2-[(4-cyclohexyloxyphenyl)methyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyloxyphenyl)methyl]guanidine is sourced from PubChem (CID 110917755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).