2,2-dimethoxy-2-phenylethanamine

C10H15NO2 — CID 13046681

IUPAC2,2-dimethoxy-2-phenylethanamine
SMILESCOC(CN)(OC)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKeySNHNHEMULPNHGU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.09
Rot. Bonds4

About 2,2-dimethoxy-2-phenylethanamine

2,2-dimethoxy-2-phenylethanamine (PubChem CID 13046681) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,2-dimethoxy-2-phenylethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-2-phenylethanamine
PubChem CID13046681
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,2-dimethoxy-2-phenylethanamine
SMILESCOC(CN)(OC)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKeySNHNHEMULPNHGU-UHFFFAOYSA-N
XLogP1.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(Benzyloxy)propan-2-amine
CID 296020
Benzene, (1,1-dimethoxyethyl)-
CID 78008
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
2-(Benzyloxy)ethanamine
CID 533868
2-(Benzyloxy)propan-1-amine
CID 296015
2-(2-Ethyl-2-phenyl-1,3-dioxan-4-yl)ethanamine
CID 53249143
trans-2-(2-Ethyl-2-phenyl-1,3-dioxan-4-yl)ethan-1-amine
CID 53304504
trans-3-(2-Ethyl-2-phenyl-1,3-dioxan-4-yl)propan-1-amine
CID 53304662
[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]methanamine
CID 54586226
2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine
CID 71458839
2-[(2R,4R)-2-methyl-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 71460646

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-2-phenylethanamine?
The IUPAC name of 2,2-dimethoxy-2-phenylethanamine (CID 13046681) is 2,2-dimethoxy-2-phenylethanamine.
What is the SMILES notation for 2,2-dimethoxy-2-phenylethanamine?
The canonical SMILES for 2,2-dimethoxy-2-phenylethanamine is COC(CN)(OC)c1ccccc1.
What is the InChIKey of 2,2-dimethoxy-2-phenylethanamine?
The InChIKey is SNHNHEMULPNHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3.
What are the key properties of 2,2-dimethoxy-2-phenylethanamine?
2,2-dimethoxy-2-phenylethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-2-phenylethanamine is sourced from PubChem (CID 13046681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).