N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine

C20H27NO2 — CID 22052251

IUPACN-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine
SMILESCCOCCNC(C)c1ccccc1-c1ccc(OCC)cc1
InChIInChI=1S/C20H27NO2/c1-4-22-15-14-21-16(3)19-8-6-7-9-20(19)17-10-12-18(13-11-17)23-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyVOJSZHKCSDZJNN-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.44
Rot. Bonds9

About N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine

N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine (PubChem CID 22052251) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine
PubChem CID22052251
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine
SMILESCCOCCNC(C)c1ccccc1-c1ccc(OCC)cc1
InChIInChI=1S/C20H27NO2/c1-4-22-15-14-21-16(3)19-8-6-7-9-20(19)17-10-12-18(13-11-17)23-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyVOJSZHKCSDZJNN-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.44
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-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
2-(1-bromoethyl)-1-(4-ethoxyphenyl)-3-[1-[2-(4-ethoxyphenyl)phenyl]ethyl]benzene
CID 161246827
1-ethoxy-4-[2-[4-(1-methoxyethyl)phenyl]phenyl]benzene
CID 139694148
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine (CID 22052251) is N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine is CCOCCNC(C)c1ccccc1-c1ccc(OCC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine?
The InChIKey is VOJSZHKCSDZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-22-15-14-21-16(3)19-8-6-7-9-20(19)17-10-12-18(13-11-17)23-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine?
N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 22052251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).