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

C15H25N3O — CID 111792990

IUPAC1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCc1ccc(O)cc1)NCC(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)11-18-15(16-3)17-10-4-5-13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyMBUZYRUUTPZWMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.15
Rot. Bonds6

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

1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 111792990) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID111792990
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCc1ccc(O)cc1)NCC(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)11-18-15(16-3)17-10-4-5-13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyMBUZYRUUTPZWMR-UHFFFAOYSA-N
XLogP2.15
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-ethyl-2-methyl-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111549261
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111181207
2-methyl-1-(2-methylpropyl)-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
CID 111180341
2-methyl-1-(2-methylpropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111178713
2-methyl-N-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111199142
2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111793503
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-(3-phenylpropyl)guanidine
CID 111199726
1-(2-ethoxyethyl)-2-methyl-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111549448
1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111791238
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111979977

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine (CID 111792990) is 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine is C/N=C(/NCCCc1ccc(O)cc1)NCC(C)C.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is MBUZYRUUTPZWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)11-18-15(16-3)17-10-4-5-13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine?
1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).