1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

C18H22ClN3O — CID 110938600

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-20-17(21-12-16-4-3-11-23-16)22-13-18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyCKBKCXBWKAWCIC-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.72
Rot. Bonds6

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 110938600) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID110938600
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-20-17(21-12-16-4-3-11-23-16)22-13-18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyCKBKCXBWKAWCIC-UHFFFAOYSA-N
XLogP3.72
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.72
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-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965367
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938060
1-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937327
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111260313
1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257527
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015621
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707897
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110939005
1-ethyl-2-(furan-2-ylmethyl)-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611589

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 110938600) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is CKBKCXBWKAWCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-2-20-17(21-12-16-4-3-11-23-16)22-13-18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 331.85 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 110938600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).