1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine

C16H25N3O2 — CID 71879177

IUPAC1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCCOc1ccc(C/N=C(\NCCOC)NC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-21-15-8-4-13(5-9-15)12-18-16(17-10-11-20-2)19-14-6-7-14/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyXALAGVGUBFMSLX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.93
Rot. Bonds8

About 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine

1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine (PubChem CID 71879177) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
PubChem CID71879177
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCCOc1ccc(C/N=C(\NCCOC)NC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-21-15-8-4-13(5-9-15)12-18-16(17-10-11-20-2)19-14-6-7-14/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyXALAGVGUBFMSLX-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111189227
1-cyclopropyl-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110988618
1-cyclopropyl-3-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110989461
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316353
ethyl 4-[[N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111491618
1-ethyl-3-(2-methoxyethyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110939893
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111221869
1-(cyclopropylmethyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111870719
1-(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111542194
N-cyclopropyl-2-[3-[[[ethylamino-(2-methoxyethylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 110940906
N-cyclopropyl-2-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide
CID 110913899
1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine
CID 110989957

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine (CID 71879177) is 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine is CCOc1ccc(C/N=C(\NCCOC)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is XALAGVGUBFMSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-21-15-8-4-13(5-9-15)12-18-16(17-10-11-20-2)19-14-6-7-14/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 291.40 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-ethoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 71879177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).