2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine

C18H30N4O — CID 111963029

IUPAC2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1OCCN(C)C)NC1CC1C
InChIInChI=1S/C18H30N4O/c1-5-19-18(21-16-12-14(16)2)20-13-15-8-6-7-9-17(15)23-11-10-22(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H2,19,20,21)
InChIKeySMACZMDEFULASR-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.09
Rot. Bonds8

About 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine

2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111963029) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111963029
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1OCCN(C)C)NC1CC1C
InChIInChI=1S/C18H30N4O/c1-5-19-18(21-16-12-14(16)2)20-13-15-8-6-7-9-17(15)23-11-10-22(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H2,19,20,21)
InChIKeySMACZMDEFULASR-UHFFFAOYSA-N
XLogP2.09
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
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

1-ethyl-3-(2-methylcyclopropyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690508
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961245
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111864846
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-pentylguanidine;hydroiodide
CID 111130521
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine
CID 111217391
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111004957
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111181116
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111945715
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914018
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968314
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylphenoxy)ethyl]guanidine
CID 111963329

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (CID 111963029) is 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\Cc1ccccc1OCCN(C)C)NC1CC1C.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is SMACZMDEFULASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-19-18(21-16-12-14(16)2)20-13-15-8-6-7-9-17(15)23-11-10-22(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 318.47 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111963029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).