3-methyl-4-propan-2-yloxybenzenecarboximidamide

C11H16N2O — CID 60929364

IUPAC3-methyl-4-propan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C11H16N2O/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7H,1-3H3,(H3,12,13)
InChIKeyYVGQNRKEDZAEFO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-4-propan-2-yloxybenzenecarboximidamide

3-methyl-4-propan-2-yloxybenzenecarboximidamide (PubChem CID 60929364) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxybenzenecarboximidamide
PubChem CID60929364
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-4-propan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C11H16N2O/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7H,1-3H3,(H3,12,13)
InChIKeyYVGQNRKEDZAEFO-UHFFFAOYSA-N
XLogP2.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.07
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

4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 60929232
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxybenzenecarboximidamide?
The IUPAC name of 3-methyl-4-propan-2-yloxybenzenecarboximidamide (CID 60929364) is 3-methyl-4-propan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-propan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 3-methyl-4-propan-2-yloxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 3-methyl-4-propan-2-yloxybenzenecarboximidamide?
The InChIKey is YVGQNRKEDZAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7H,1-3H3,(H3,12,13).
What are the key properties of 3-methyl-4-propan-2-yloxybenzenecarboximidamide?
3-methyl-4-propan-2-yloxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 60929364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).