1-methyl-1-(1-phenoxypropan-2-yl)guanidine

C11H17N3O — CID 139746217

IUPAC1-methyl-1-(1-phenoxypropan-2-yl)guanidine
SMILES[H]/N=C(\N)N(C)C(C)COc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(14(2)11(12)13)8-15-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13)
InChIKeyRCHAPAHFMFJXBC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds4

About 1-methyl-1-(1-phenoxypropan-2-yl)guanidine

1-methyl-1-(1-phenoxypropan-2-yl)guanidine (PubChem CID 139746217) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-1-(1-phenoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(1-phenoxypropan-2-yl)guanidine
PubChem CID139746217
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-methyl-1-(1-phenoxypropan-2-yl)guanidine
SMILES[H]/N=C(\N)N(C)C(C)COc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(14(2)11(12)13)8-15-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13)
InChIKeyRCHAPAHFMFJXBC-UHFFFAOYSA-N
XLogP1.28
TPSA62.34 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 ≤ 51.28
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

3-(dimethylamino)-N-methyl-N-(1-phenoxypropan-2-yl)propanamide;hydrochloride
CID 3064445
3-hydroxy-4-phenoxybutanimidamide
CID 83814373
ethanol;1-phenyl-1-propan-2-yloxyguanidine
CID 175317381
ethane;1-methyl-1-[[2-(3-phenoxypropoxy)phenyl]methyl]guanidine
CID 145110951
1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
CID 121451349
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
ethyl 3-phenoxypropanimidate
CID 55267889
4-methoxy-N-(4-methoxyphenyl)-N-(1-phenoxypropan-2-yl)aniline
CID 139670197
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
ethane;1-phenoxypropan-2-ol
CID 90926921
N-methyl-N-(1-phenoxypropan-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 24843752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-phenoxypropan-2-yl)guanidine?
The IUPAC name of 1-methyl-1-(1-phenoxypropan-2-yl)guanidine (CID 139746217) is 1-methyl-1-(1-phenoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-methyl-1-(1-phenoxypropan-2-yl)guanidine?
The canonical SMILES for 1-methyl-1-(1-phenoxypropan-2-yl)guanidine is [H]/N=C(\N)N(C)C(C)COc1ccccc1.
What is the InChIKey of 1-methyl-1-(1-phenoxypropan-2-yl)guanidine?
The InChIKey is RCHAPAHFMFJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(14(2)11(12)13)8-15-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13).
What are the key properties of 1-methyl-1-(1-phenoxypropan-2-yl)guanidine?
1-methyl-1-(1-phenoxypropan-2-yl)guanidine has a molecular weight of 207.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-phenoxypropan-2-yl)guanidine is sourced from PubChem (CID 139746217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).