N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine

C16H28N2O — CID 55074731

IUPACN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
SMILESCCNCc1cccc(OCCN(CC)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-17-13-15-8-7-9-16(12-15)19-11-10-18(6-2)14(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyWVEBWTXROCKSBG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds9

About N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine

N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine (PubChem CID 55074731) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
PubChem CID55074731
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
SMILESCCNCc1cccc(OCCN(CC)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-17-13-15-8-7-9-16(12-15)19-11-10-18(6-2)14(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyWVEBWTXROCKSBG-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine (CID 55074731) is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine is CCNCc1cccc(OCCN(CC)C(C)C)c1.
What is the InChIKey of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine?
The InChIKey is WVEBWTXROCKSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-13-15-8-7-9-16(12-15)19-11-10-18(6-2)14(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine?
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine is sourced from PubChem (CID 55074731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).