2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine

C19H30FN3O — CID 134099594

IUPAC2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC(C)(C)C)Nc1cc(F)ccc1O
InChIInChI=1S/C19H30FN3O/c1-13-7-5-6-8-15(13)22-18(21-12-19(2,3)4)23-16-11-14(20)9-10-17(16)24/h9-11,13,15,24H,5-8,12H2,1-4H3,(H2,21,22,23)
InChIKeyQJDZSDLVSQTGLV-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine

2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine (PubChem CID 134099594) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
PubChem CID134099594
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC(C)(C)C)Nc1cc(F)ccc1O
InChIInChI=1S/C19H30FN3O/c1-13-7-5-6-8-15(13)22-18(21-12-19(2,3)4)23-16-11-14(20)9-10-17(16)24/h9-11,13,15,24H,5-8,12H2,1-4H3,(H2,21,22,23)
InChIKeyQJDZSDLVSQTGLV-UHFFFAOYSA-N
XLogP4.51
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(2-hydroxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099583
1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
CID 134099585
1-(5-fluoro-2-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
CID 134099580
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134111473
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908
1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134099454
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134111480
methyl 4-hydroxy-3-[[N'-[2-(4-hydroxyphenyl)ethyl]-N-(2-methylcyclohexyl)carbamimidoyl]amino]benzoate
CID 134111510
1-(2,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8668974
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
1-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 135816185

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine (CID 134099594) is 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine is CC1CCCCC1N/C(=N\CC(C)(C)C)Nc1cc(F)ccc1O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The InChIKey is QJDZSDLVSQTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-13-7-5-6-8-15(13)22-18(21-12-19(2,3)4)23-16-11-14(20)9-10-17(16)24/h9-11,13,15,24H,5-8,12H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine has a molecular weight of 335.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 134099594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).