2-cyclohexyloxy-3-methoxybenzenecarboximidamide

C14H20N2O2 — CID 82253454

IUPAC2-cyclohexyloxy-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OC1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-17-12-9-5-8-11(14(15)16)13(12)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H3,15,16)
InChIKeyBELXWCKSDNMUDN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.69
Rot. Bonds4

About 2-cyclohexyloxy-3-methoxybenzenecarboximidamide

2-cyclohexyloxy-3-methoxybenzenecarboximidamide (PubChem CID 82253454) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclohexyloxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-cyclohexyloxy-3-methoxybenzenecarboximidamide
PubChem CID82253454
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclohexyloxy-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OC1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-17-12-9-5-8-11(14(15)16)13(12)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H3,15,16)
InChIKeyBELXWCKSDNMUDN-UHFFFAOYSA-N
XLogP2.69
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.69
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

methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 2-cyclohexyloxy-3-methoxybenzenecarboximidamide (CID 82253454) is 2-cyclohexyloxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-cyclohexyloxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 2-cyclohexyloxy-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-3-methoxybenzenecarboximidamide?
The InChIKey is BELXWCKSDNMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-12-9-5-8-11(14(15)16)13(12)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H3,15,16).
What are the key properties of 2-cyclohexyloxy-3-methoxybenzenecarboximidamide?
2-cyclohexyloxy-3-methoxybenzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 82253454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).