2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine

C19H25N3O — CID 111816054

IUPAC2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCCc2ccc(O)cc2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-6-3-7-17(13-16)22-19(20)21-12-4-5-15-8-10-18(23)11-9-15/h3,6-11,13-14,23H,4-5,12H2,1-2H3,(H3,20,21,22)
InChIKeyNENLMGVOGPXVNK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.88
Rot. Bonds6

About 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine

2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111816054) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111816054
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCCc2ccc(O)cc2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-6-3-7-17(13-16)22-19(20)21-12-4-5-15-8-10-18(23)11-9-15/h3,6-11,13-14,23H,4-5,12H2,1-2H3,(H3,20,21,22)
InChIKeyNENLMGVOGPXVNK-UHFFFAOYSA-N
XLogP3.88
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.88
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

2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111089161
N-[4-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086256
2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111800494
2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608
2-(3-methylsulfonylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111067197
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110018620
2-[3-(benzenesulfonyl)propyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111085346
1-(3,4-dimethoxyphenyl)-2-[3-(4-propan-2-ylphenyl)propyl]guanidine;hydroiodide
CID 111809179
ethyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111025644
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111816054) is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CCCc2ccc(O)cc2)c1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is NENLMGVOGPXVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)16-6-3-7-17(13-16)22-19(20)21-12-4-5-15-8-10-18(23)11-9-15/h3,6-11,13-14,23H,4-5,12H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).