2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine

C19H31N3O2 — CID 111998963

IUPAC2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1OCC)NCC1(O)CCCCC1
InChIInChI=1S/C19H31N3O2/c1-3-20-18(22-15-19(23)12-8-5-9-13-19)21-14-16-10-6-7-11-17(16)24-4-2/h6-7,10-11,23H,3-5,8-9,12-15H2,1-2H3,(H2,20,21,22)
InChIKeyUGRBLNZIJOLDKJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.84
Rot. Bonds7

About 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine

2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine (PubChem CID 111998963) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
PubChem CID111998963
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1OCC)NCC1(O)CCCCC1
InChIInChI=1S/C19H31N3O2/c1-3-20-18(22-15-19(23)12-8-5-9-13-19)21-14-16-10-6-7-11-17(16)24-4-2/h6-7,10-11,23H,3-5,8-9,12-15H2,1-2H3,(H2,20,21,22)
InChIKeyUGRBLNZIJOLDKJ-UHFFFAOYSA-N
XLogP2.84
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-benzyl-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
CID 110952204
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111835464
1-(cyclopropylmethyl)-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 111867474
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125222
2-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-ethylacetamide
CID 111880705
1-tert-butyl-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 110967302
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983129
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]guanidine;hydroiodide
CID 111232420
2-[(2-ethoxyphenyl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222241
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(2-fluorophenyl)methyl]guanidine
CID 111264785
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111264784
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111881421

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine (CID 111998963) is 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1OCC)NCC1(O)CCCCC1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine?
The InChIKey is UGRBLNZIJOLDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-20-18(22-15-19(23)12-8-5-9-13-19)21-14-16-10-6-7-11-17(16)24-4-2/h6-7,10-11,23H,3-5,8-9,12-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine?
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine has a molecular weight of 333.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 111998963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).