N,N-dimethyl-2-phenylethanamine;ethyl formate

C13H21NO2 — CID 158758698

IUPACN,N-dimethyl-2-phenylethanamine;ethyl formate
SMILESCCOC=O.CN(C)CCc1ccccc1
InChIInChI=1S/C10H15N.C3H6O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-5-3-4/h3-7H,8-9H2,1-2H3;3H,2H2,1H3
InChIKeyIOJXDBOSQAIOQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds5

About N,N-dimethyl-2-phenylethanamine;ethyl formate

N,N-dimethyl-2-phenylethanamine;ethyl formate (PubChem CID 158758698) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylethanamine;ethyl formate.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylethanamine;ethyl formate
PubChem CID158758698
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN,N-dimethyl-2-phenylethanamine;ethyl formate
SMILESCCOC=O.CN(C)CCc1ccccc1
InChIInChI=1S/C10H15N.C3H6O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-5-3-4/h3-7H,8-9H2,1-2H3;3H,2H2,1H3
InChIKeyIOJXDBOSQAIOQV-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethylbenzene;ethyl formate
CID 123765960
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
bromomethylbenzene;ethyl formate
CID 160682480
2-cyclobutylethylbenzene;ethyl formate
CID 174903391
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
ethyl formate;phenoxybenzene
CID 174262860
benzoic acid;ethyl formate
CID 158867459
aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
CID 174349265
acetic acid;ethyl formate;toluene
CID 160542661
N,N-dimethylquinolin-2-amine;ethyl formate
CID 173137304
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylethanamine;ethyl formate?
The IUPAC name of N,N-dimethyl-2-phenylethanamine;ethyl formate (CID 158758698) is N,N-dimethyl-2-phenylethanamine;ethyl formate.
What is the SMILES notation for N,N-dimethyl-2-phenylethanamine;ethyl formate?
The canonical SMILES for N,N-dimethyl-2-phenylethanamine;ethyl formate is CCOC=O.CN(C)CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylethanamine;ethyl formate?
The InChIKey is IOJXDBOSQAIOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H6O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-5-3-4/h3-7H,8-9H2,1-2H3;3H,2H2,1H3.
What are the key properties of N,N-dimethyl-2-phenylethanamine;ethyl formate?
N,N-dimethyl-2-phenylethanamine;ethyl formate has a molecular weight of 223.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylethanamine;ethyl formate is sourced from PubChem (CID 158758698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).