1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine

C17H29N3O2 — CID 111181207

IUPAC1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCOCc1ccc(OC)cc1)NCC(C)C
InChIInChI=1S/C17H29N3O2/c1-14(2)12-20-17(18-3)19-10-5-11-22-13-15-6-8-16(21-4)9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H2,18,19,20)
InChIKeyZDWVOZGNPVORAL-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.42
Rot. Bonds9

About 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine

1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 111181207) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID111181207
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCOCc1ccc(OC)cc1)NCC(C)C
InChIInChI=1S/C17H29N3O2/c1-14(2)12-20-17(18-3)19-10-5-11-22-13-15-6-8-16(21-4)9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H2,18,19,20)
InChIKeyZDWVOZGNPVORAL-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111931113
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136419
2-methyl-1-(2-methylpropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111178713
N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
CID 62456313
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111177914
1-[3-[(4-methoxyphenyl)methoxy]propyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111217564
1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111239295
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylguanidine
CID 109430757
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408984
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylguanidine;hydroiodide
CID 111380464
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111183011
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine (CID 111181207) is 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine is C/N=C(/NCCCOCc1ccc(OC)cc1)NCC(C)C.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is ZDWVOZGNPVORAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(2)12-20-17(18-3)19-10-5-11-22-13-15-6-8-16(21-4)9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine?
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 307.44 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).