1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine

C22H23N3O — CID 22675730

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine
SMILESCC(COc1ccccc1)/N=C(\N)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H23N3O/c1-15(14-26-18-7-3-2-4-8-18)24-22(23)25-20-13-12-17-11-10-16-6-5-9-19(20)21(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H3,23,24,25)
InChIKeyZLWCKRLSSGRSFB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.13
Rot. Bonds5

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine

1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine (PubChem CID 22675730) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine
PubChem CID22675730
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine
SMILESCC(COc1ccccc1)/N=C(\N)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H23N3O/c1-15(14-26-18-7-3-2-4-8-18)24-22(23)25-20-13-12-17-11-10-16-6-5-9-19(20)21(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H3,23,24,25)
InChIKeyZLWCKRLSSGRSFB-UHFFFAOYSA-N
XLogP4.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.13
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

N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
CID 806873
2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 18751648
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317
2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 149150181
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 133211172
N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 806562
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
CID 154448669

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine (CID 22675730) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine is CC(COc1ccccc1)/N=C(\N)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine?
The InChIKey is ZLWCKRLSSGRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(14-26-18-7-3-2-4-8-18)24-22(23)25-20-13-12-17-11-10-16-6-5-9-19(20)21(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H3,23,24,25).
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine has a molecular weight of 345.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine is sourced from PubChem (CID 22675730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).