1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

C18H24N4O — CID 111804450

IUPAC1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C18H24N4O/c1-4-9-23-17-8-6-15(11-20-17)12-21-18(19)22-16-7-5-13(2)14(3)10-16/h5-8,10-11H,4,9,12H2,1-3H3,(H3,19,21,22)
InChIKeyRNMAMDWCMVSRDP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.41
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111804450) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111804450
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C18H24N4O/c1-4-9-23-17-8-6-15(11-20-17)12-21-18(19)22-16-7-5-13(2)14(3)10-16/h5-8,10-11H,4,9,12H2,1-3H3,(H3,19,21,22)
InChIKeyRNMAMDWCMVSRDP-UHFFFAOYSA-N
XLogP3.41
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804462
1-(3-methoxyphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804523
1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804461
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
1-(3,4-dimethoxyphenyl)-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061059
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
1-(3,4-dimethylphenyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111041577
1-(3,4-dimethylphenyl)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine
CID 111066641
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111049662

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111804450) is 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ccc(C/N=C(\N)Nc2ccc(C)c(C)c2)cn1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is RNMAMDWCMVSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-9-23-17-8-6-15(11-20-17)12-21-18(19)22-16-7-5-13(2)14(3)10-16/h5-8,10-11H,4,9,12H2,1-3H3,(H3,19,21,22).
What are the key properties of 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 312.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111804450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).