1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine

C19H29F2N3O3 — CID 109495755

IUPAC1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCOC)CC1)NCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H29F2N3O3/c1-3-22-18(24-13-19(8-9-19)10-11-26-2)23-12-16(25)14-4-6-15(7-5-14)27-17(20)21/h4-7,16-17,25H,3,8-13H2,1-2H3,(H2,22,23,24)
InChIKeyUZOAVLHKOOUKFO-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.69
Rot. Bonds11

About 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine

1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine (PubChem CID 109495755) has the molecular formula C19H29F2N3O3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
PubChem CID109495755
Molecular FormulaC19H29F2N3O3
Molecular Weight385.46 g/mol
Exact Mass385.22
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCOC)CC1)NCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H29F2N3O3/c1-3-22-18(24-13-19(8-9-19)10-11-26-2)23-12-16(25)14-4-6-15(7-5-14)27-17(20)21/h4-7,16-17,25H,3,8-13H2,1-2H3,(H2,22,23,24)
InChIKeyUZOAVLHKOOUKFO-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-ethylguanidine
CID 109495757
1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
CID 109494477
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 109494821
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 109495047
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 109494947
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 109494862
2-benzyl-1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109495233
3-[[[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide
CID 109495485
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 109495048
tert-butyl 2-[[[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]acetate
CID 109495315
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 109494557
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)-2-phenylethyl]-3-ethylguanidine;hydroiodide
CID 109494880

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine (CID 109495755) is 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine is CCN/C(=N\CC1(CCOC)CC1)NCC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine?
The InChIKey is UZOAVLHKOOUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O3/c1-3-22-18(24-13-19(8-9-19)10-11-26-2)23-12-16(25)14-4-6-15(7-5-14)27-17(20)21/h4-7,16-17,25H,3,8-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine?
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine has a molecular weight of 385.46 g/mol, XLogP of 2.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 109495755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).