2-tert-butyl-1-(4-phenoxyphenyl)guanidine

C17H21N3O — CID 62379783

IUPAC2-tert-butyl-1-(4-phenoxyphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)20-16(18)19-13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12H,1-3H3,(H3,18,19,20)
InChIKeyHRVRNLXATSDDET-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.00
Rot. Bonds3

About 2-tert-butyl-1-(4-phenoxyphenyl)guanidine

2-tert-butyl-1-(4-phenoxyphenyl)guanidine (PubChem CID 62379783) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-phenoxyphenyl)guanidine
PubChem CID62379783
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-tert-butyl-1-(4-phenoxyphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)20-16(18)19-13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12H,1-3H3,(H3,18,19,20)
InChIKeyHRVRNLXATSDDET-UHFFFAOYSA-N
XLogP4.00
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenoxy]phenoxy]phenyl]guanidine
CID 56649500
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310
2-tert-butyl-1-(4-propylphenyl)guanidine
CID 62378915
2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
CID 62379249
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-phenoxyphenyl)guanidine?
The IUPAC name of 2-tert-butyl-1-(4-phenoxyphenyl)guanidine (CID 62379783) is 2-tert-butyl-1-(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(4-phenoxyphenyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(4-phenoxyphenyl)guanidine is CC(C)(C)/N=C(\N)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-phenoxyphenyl)guanidine?
The InChIKey is HRVRNLXATSDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)20-16(18)19-13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12H,1-3H3,(H3,18,19,20).
What are the key properties of 2-tert-butyl-1-(4-phenoxyphenyl)guanidine?
2-tert-butyl-1-(4-phenoxyphenyl)guanidine has a molecular weight of 283.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 62379783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).