1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine

C18H28F2N4O2 — CID 111288597

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H28F2N4O2/c1-3-21-18(22-8-9-24-10-12-25-13-11-24)23(2)14-15-4-6-16(7-5-15)26-17(19)20/h4-7,17H,3,8-14H2,1-2H3,(H,21,22)
InChIKeyZVPBQJPYSWUUGE-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.02
Rot. Bonds8

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine

1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111288597) has the molecular formula C18H28F2N4O2 and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID111288597
Molecular FormulaC18H28F2N4O2
Molecular Weight370.44 g/mol
Exact Mass370.22
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H28F2N4O2/c1-3-21-18(22-8-9-24-10-12-25-13-11-24)23(2)14-15-4-6-16(7-5-15)26-17(19)20/h4-7,17H,3,8-14H2,1-2H3,(H,21,22)
InChIKeyZVPBQJPYSWUUGE-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

2-[2-[[5-[(4-Fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 11950660
N-((4-Methoxyphenyl)methyl)-N',N''-dimethylguanidine
CID 42765
1-(2-(1,5-Bis(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 45268077
2-[2-[[1-Benzyl-5-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677466
2-[2-[[1-[(4-Methoxyphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677468
2-[2-[[1-[(4-Fluorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677475
2-[2-[[5-[(4-Methoxyphenyl)methyl]-4,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677477
1-(2-(5-Benzyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 11950302
1-[4-[[[4-(Trifluoromethoxy)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554362
1-[4-[4-(7-Phenoxyheptyl)piperazin-1-yl]butyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;trihydrochloride
CID 155565679
4-Hydroxy-6-(4-methoxyphenyl)-2-(2-morpholinoethylamino)pyrimidine-5-carbonitrile
CID 135434916
(4-Methoxy-benzyl)-(2-morpholin-4-yl-ethyl)-amine
CID 3152375

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine (CID 111288597) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CCN1CCOCC1)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is ZVPBQJPYSWUUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N4O2/c1-3-21-18(22-8-9-24-10-12-25-13-11-24)23(2)14-15-4-6-16(7-5-15)26-17(19)20/h4-7,17H,3,8-14H2,1-2H3,(H,21,22).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 370.44 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111288597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).