4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

C14H22N2O3 — CID 106665854

IUPAC4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCCC(C)(C)OC
InChIInChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-12-9-10(17-3)5-6-11(12)13(15)16/h5-6,9H,7-8H2,1-4H3,(H3,15,16)
InChIKeyRIEPZDNFBUNWLL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.17
Rot. Bonds7

About 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (PubChem CID 106665854) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
PubChem CID106665854
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCCC(C)(C)OC
InChIInChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-12-9-10(17-3)5-6-11(12)13(15)16/h5-6,9H,7-8H2,1-4H3,(H3,15,16)
InChIKeyRIEPZDNFBUNWLL-UHFFFAOYSA-N
XLogP2.17
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 106665829
2,4-dimethoxybenzenecarboximidamide
CID 4138242
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-methoxy-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 81303141

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (CID 106665854) is 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OCCC(C)(C)OC.
What is the InChIKey of 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The InChIKey is RIEPZDNFBUNWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-12-9-10(17-3)5-6-11(12)13(15)16/h5-6,9H,7-8H2,1-4H3,(H3,15,16).
What are the key properties of 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide has a molecular weight of 266.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 106665854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).