N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine

C17H30N2O2 — CID 107094233

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCCOCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)21-17-8-6-16(7-9-17)15(3)18-10-12-20-13-11-19(4)5/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyZTOQQEORVMPZGO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.70
Rot. Bonds10

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 107094233) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID107094233
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCCOCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)21-17-8-6-16(7-9-17)15(3)18-10-12-20-13-11-19(4)5/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyZTOQQEORVMPZGO-UHFFFAOYSA-N
XLogP2.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 107094093
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107094213
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
CID 107094322
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(3-bromo-4-methoxyphenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
CID 107094299
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
CID 42570976
3-[1-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]benzonitrile
CID 107094098

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine (CID 107094233) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NCCOCCN(C)C)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is ZTOQQEORVMPZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)21-17-8-6-16(7-9-17)15(3)18-10-12-20-13-11-19(4)5/h6-9,14-15,18H,10-13H2,1-5H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 294.44 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107094233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).