2-(1-methoxypropan-2-yl)-1-phenylguanidine

C11H17N3O — CID 62364056

IUPAC2-(1-methoxypropan-2-yl)-1-phenylguanidine
SMILESCOCC(C)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(8-15-2)13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14)
InChIKeySJDSPYXTWVLHFH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.45
Rot. Bonds4

About 2-(1-methoxypropan-2-yl)-1-phenylguanidine

2-(1-methoxypropan-2-yl)-1-phenylguanidine (PubChem CID 62364056) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-1-phenylguanidine
PubChem CID62364056
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-methoxypropan-2-yl)-1-phenylguanidine
SMILESCOCC(C)/N=C(\N)Nc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(8-15-2)13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14)
InChIKeySJDSPYXTWVLHFH-UHFFFAOYSA-N
XLogP1.45
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.45
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-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-[3-(methoxymethyl)phenyl]-2-propan-2-ylguanidine
CID 62379824
1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
CID 116514097
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-1-phenylguanidine (CID 62364056) is 2-(1-methoxypropan-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-1-phenylguanidine is COCC(C)/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-1-phenylguanidine?
The InChIKey is SJDSPYXTWVLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(8-15-2)13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(1-methoxypropan-2-yl)-1-phenylguanidine?
2-(1-methoxypropan-2-yl)-1-phenylguanidine has a molecular weight of 207.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-1-phenylguanidine is sourced from PubChem (CID 62364056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).