2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine

C12H17N3O — CID 62362147

IUPAC2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine
SMILESCOc1cccc(N(C)/C(N)=N/C2CC2)c1
InChIInChI=1S/C12H17N3O/c1-15(12(13)14-9-6-7-9)10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBOKHWDZTGZRPAP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine

2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine (PubChem CID 62362147) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine
PubChem CID62362147
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine
SMILESCOc1cccc(N(C)/C(N)=N/C2CC2)c1
InChIInChI=1S/C12H17N3O/c1-15(12(13)14-9-6-7-9)10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBOKHWDZTGZRPAP-UHFFFAOYSA-N
XLogP1.61
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
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

N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide
CID 63181471
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
(1S,6R)-6-[(3-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962351
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64553181
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 114084877
3-methoxy-N,N-disilylaniline
CID 149149494
2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
CID 62361894
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine?
The IUPAC name of 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine (CID 62362147) is 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine is COc1cccc(N(C)/C(N)=N/C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine?
The InChIKey is BOKHWDZTGZRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(12(13)14-9-6-7-9)10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine?
2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine has a molecular weight of 219.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine is sourced from PubChem (CID 62362147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).