1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine

C17H30N4O — CID 111606949

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
SMILESC/N=C(/NCC(c1ccccc1)N(C)C)NCC(C)(C)OC
InChIInChI=1S/C17H30N4O/c1-17(2,22-6)13-20-16(18-3)19-12-15(21(4)5)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H2,18,19,20)
InChIKeyYAVQSDCIQKUAHY-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.88
Rot. Bonds7

About 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine

1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine (PubChem CID 111606949) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
PubChem CID111606949
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
SMILESC/N=C(/NCC(c1ccccc1)N(C)C)NCC(C)(C)OC
InChIInChI=1S/C17H30N4O/c1-17(2,22-6)13-20-16(18-3)19-12-15(21(4)5)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H2,18,19,20)
InChIKeyYAVQSDCIQKUAHY-UHFFFAOYSA-N
XLogP1.88
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.88
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-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111605188
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941058
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111607521
1-butyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111151724
1-[2-(dimethylamino)-3-ethylpentyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607866
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111606966
1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111132107
1-(3-butoxypropyl)-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111238775
1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 110991267
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627945
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704496
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111710090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine (CID 111606949) is 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine is C/N=C(/NCC(c1ccccc1)N(C)C)NCC(C)(C)OC.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The InChIKey is YAVQSDCIQKUAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(2,22-6)13-20-16(18-3)19-12-15(21(4)5)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine has a molecular weight of 306.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine is sourced from PubChem (CID 111606949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).