N,N-diethyl-1-phenylmethoxyethanamine

C13H21NO — CID 22369442

IUPACN,N-diethyl-1-phenylmethoxyethanamine
SMILESCCN(CC)C(C)OCc1ccccc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)12(3)15-11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3
InChIKeyJECSCLDELMOBLR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds6

About N,N-diethyl-1-phenylmethoxyethanamine

N,N-diethyl-1-phenylmethoxyethanamine (PubChem CID 22369442) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-1-phenylmethoxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-phenylmethoxyethanamine
PubChem CID22369442
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-diethyl-1-phenylmethoxyethanamine
SMILESCCN(CC)C(C)OCc1ccccc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)12(3)15-11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3
InChIKeyJECSCLDELMOBLR-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yloxymethylbenzene;ethane
CID 161043537
1-chloroethoxymethylbenzene
CID 12510706
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-propoxyethoxymethylbenzene
CID 141304441
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(2S,3R)-2-(dibenzylamino)-3-phenylmethoxybutanal
CID 101382719
(2S)-2-(dibenzylamino)-3-phenylmethoxybutanal
CID 131854366
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(3S)-3-iodopentan-2-yl]oxymethylbenzene
CID 161266515
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylmethoxyethanamine?
The IUPAC name of N,N-diethyl-1-phenylmethoxyethanamine (CID 22369442) is N,N-diethyl-1-phenylmethoxyethanamine.
What is the SMILES notation for N,N-diethyl-1-phenylmethoxyethanamine?
The canonical SMILES for N,N-diethyl-1-phenylmethoxyethanamine is CCN(CC)C(C)OCc1ccccc1.
What is the InChIKey of N,N-diethyl-1-phenylmethoxyethanamine?
The InChIKey is JECSCLDELMOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(5-2)12(3)15-11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-phenylmethoxyethanamine?
N,N-diethyl-1-phenylmethoxyethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylmethoxyethanamine is sourced from PubChem (CID 22369442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).