2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine

C14H24N4 — CID 111026200

IUPAC2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(c1ccccc1)N(C)C
InChIInChI=1S/C14H24N4/c1-11(2)17-14(15)16-10-13(18(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H3,15,16,17)
InChIKeyLNRYQEDWLUMCQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine

2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine (PubChem CID 111026200) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
PubChem CID111026200
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(c1ccccc1)N(C)C
InChIInChI=1S/C14H24N4/c1-11(2)17-14(15)16-10-13(18(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H3,15,16,17)
InChIKeyLNRYQEDWLUMCQQ-UHFFFAOYSA-N
XLogP1.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
CID 111026228
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111074176
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-[3-(dibenzylamino)propyl]-1-propan-2-ylguanidine
CID 111722085
1-[2-(diethylamino)-2-phenylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912032
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine (CID 111026200) is 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(c1ccccc1)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine?
The InChIKey is LNRYQEDWLUMCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)17-14(15)16-10-13(18(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H3,15,16,17).
What are the key properties of 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine?
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine has a molecular weight of 248.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111026200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).