1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine

C18H32N4O — CID 111237883

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCc1ccc(C(CN/C(=N/C)NC(C)COC)N(C)C)cc1
InChIInChI=1S/C18H32N4O/c1-7-15-8-10-16(11-9-15)17(22(4)5)12-20-18(19-3)21-14(2)13-23-6/h8-11,14,17H,7,12-13H2,1-6H3,(H2,19,20,21)
InChIKeyYJLVWGZJIVPHKV-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.05
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 111237883) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID111237883
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCc1ccc(C(CN/C(=N/C)NC(C)COC)N(C)C)cc1
InChIInChI=1S/C18H32N4O/c1-7-15-8-10-16(11-9-15)17(22(4)5)12-20-18(19-3)21-14(2)13-23-6/h8-11,14,17H,7,12-13H2,1-6H3,(H2,19,20,21)
InChIKeyYJLVWGZJIVPHKV-UHFFFAOYSA-N
XLogP2.05
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.05
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-butan-2-yl-3-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110945097
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235167
1-butan-2-yl-3-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-methylguanidine
CID 111978856
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235490
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001942
methyl 4-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111234412
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111126649
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203240
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111773906
methyl 4-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111236302
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine (CID 111237883) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine is CCc1ccc(C(CN/C(=N/C)NC(C)COC)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is YJLVWGZJIVPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-7-15-8-10-16(11-9-15)17(22(4)5)12-20-18(19-3)21-14(2)13-23-6/h8-11,14,17H,7,12-13H2,1-6H3,(H2,19,20,21).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 320.48 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 111237883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).