N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine

C16H28N2O — CID 107094322

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCCOCCN(C)C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)12-16(11-13)15(3)17-6-8-19-9-7-18(4)5/h10-12,15,17H,6-9H2,1-5H3
InChIKeyLEAABFOAKZOVGY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 107094322) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
PubChem CID107094322
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCCOCCN(C)C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)12-16(11-13)15(3)17-6-8-19-9-7-18(4)5/h10-12,15,17H,6-9H2,1-5H3
InChIKeyLEAABFOAKZOVGY-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
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-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 107094233
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
1-(3-bromo-4-methoxyphenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
CID 107094299
2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235235
3-[1-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]benzonitrile
CID 107094098
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine (CID 107094322) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(C)NCCOCCN(C)C)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is LEAABFOAKZOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-10-14(2)12-16(11-13)15(3)17-6-8-19-9-7-18(4)5/h10-12,15,17H,6-9H2,1-5H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 264.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 107094322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).