N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine

C15H25NO2 — CID 62444314

IUPACN-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCCOCCOCc1ccccc1CNC(C)C
InChIInChI=1S/C15H25NO2/c1-4-17-9-10-18-12-15-8-6-5-7-14(15)11-16-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyJCRVIUKFKQDQEN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds9

About N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine

N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62444314) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62444314
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCCOCCOCc1ccccc1CNC(C)C
InChIInChI=1S/C15H25NO2/c1-4-17-9-10-18-12-15-8-6-5-7-14(15)11-16-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyJCRVIUKFKQDQEN-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459872
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine (CID 62444314) is N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine is CCOCCOCc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is JCRVIUKFKQDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-17-9-10-18-12-15-8-6-5-7-14(15)11-16-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine?
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62444314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).