1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine

C19H21N3O — CID 110938972

IUPAC1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)NCc1ccco1
InChIInChI=1S/C19H21N3O/c1-2-20-19(22-14-17-10-6-12-23-17)21-13-16-9-5-8-15-7-3-4-11-18(15)16/h3-12H,2,13-14H2,1H3,(H2,20,21,22)
InChIKeyPYFFXVIKTVNIGS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.69
Rot. Bonds5

About 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine

1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine (PubChem CID 110938972) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
PubChem CID110938972
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)NCc1ccco1
InChIInChI=1S/C19H21N3O/c1-2-20-19(22-14-17-10-6-12-23-17)21-13-16-9-5-8-15-7-3-4-11-18(15)16/h3-12H,2,13-14H2,1H3,(H2,20,21,22)
InChIKeyPYFFXVIKTVNIGS-UHFFFAOYSA-N
XLogP3.69
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.69
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

1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 110938971
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937324
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110938808
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937239
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 109429796
N-[4-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110937518
2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111544430
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937484
1-ethyl-3-(furan-2-ylmethyl)-2-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110937364

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine (CID 110938972) is 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2ccccc12)NCc1ccco1.
What is the InChIKey of 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is PYFFXVIKTVNIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-20-19(22-14-17-10-6-12-23-17)21-13-16-9-5-8-15-7-3-4-11-18(15)16/h3-12H,2,13-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine?
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 307.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 110938972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).