1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine

C11H16NO- — CID 59280687

IUPAC1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
SMILES[CH2-]N(C)Cc1ccccc1OCC
InChIInChI=1S/C11H16NO/c1-4-13-11-8-6-5-7-10(11)9-12(2)3/h5-8H,2,4,9H2,1,3H3/q-1
InChIKeyLLBDCYOROMYVAE-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.31
Rot. Bonds4

About 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine

1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine (PubChem CID 59280687) has the molecular formula C11H16NO- and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
PubChem CID59280687
Molecular FormulaC11H16NO-
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
SMILES[CH2-]N(C)Cc1ccccc1OCC
InChIInChI=1S/C11H16NO/c1-4-13-11-8-6-5-7-10(11)9-12(2)3/h5-8H,2,4,9H2,1,3H3/q-1
InChIKeyLLBDCYOROMYVAE-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 70907000
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
2-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine (CID 59280687) is 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine is [CH2-]N(C)Cc1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine?
The InChIKey is LLBDCYOROMYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO/c1-4-13-11-8-6-5-7-10(11)9-12(2)3/h5-8H,2,4,9H2,1,3H3/q-1.
What are the key properties of 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine?
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine has a molecular weight of 178.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine is sourced from PubChem (CID 59280687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).