N,N-dimethylmethanamine;2-phenylethyl acetate

C13H21NO2 — CID 67859846

IUPACN,N-dimethylmethanamine;2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1.CN(C)C
InChIInChI=1S/C10H12O2.C3H9N/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-4(2)3/h2-6H,7-8H2,1H3;1-3H3
InChIKeyFWJITWQYGGHVBE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds3

About N,N-dimethylmethanamine;2-phenylethyl acetate

N,N-dimethylmethanamine;2-phenylethyl acetate (PubChem CID 67859846) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-phenylethyl acetate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-phenylethyl acetate
PubChem CID67859846
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN,N-dimethylmethanamine;2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1.CN(C)C
InChIInChI=1S/C10H12O2.C3H9N/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-4(2)3/h2-6H,7-8H2,1H3;1-3H3
InChIKeyFWJITWQYGGHVBE-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
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2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
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2-azulen-6-ylethyl acetate
CID 593065
2-benzyl-3,3,3-trichloropropanoic acid;2-phenylethyl acetate
CID 175878398
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
(3-oxo-7-phenylheptyl) acetate
CID 175000203
2-(4-butylphenyl)ethyl acetate
CID 91655434
benzyl acetate
CID 8785
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
2-phenylethyl 3,3-difluoro-2-methylprop-2-enoate
CID 11401868

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-phenylethyl acetate?
The IUPAC name of N,N-dimethylmethanamine;2-phenylethyl acetate (CID 67859846) is N,N-dimethylmethanamine;2-phenylethyl acetate.
What is the SMILES notation for N,N-dimethylmethanamine;2-phenylethyl acetate?
The canonical SMILES for N,N-dimethylmethanamine;2-phenylethyl acetate is CC(=O)OCCc1ccccc1.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-phenylethyl acetate?
The InChIKey is FWJITWQYGGHVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H9N/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-4(2)3/h2-6H,7-8H2,1H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-phenylethyl acetate?
N,N-dimethylmethanamine;2-phenylethyl acetate has a molecular weight of 223.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-phenylethyl acetate is sourced from PubChem (CID 67859846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).