3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine

C16H28N2O — CID 115464856

IUPAC3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCCc1ccccc1COCCCN(C)C
InChIInChI=1S/C16H28N2O/c1-4-17-11-10-15-8-5-6-9-16(15)14-19-13-7-12-18(2)3/h5-6,8-9,17H,4,7,10-14H2,1-3H3
InChIKeyQKZNNXCBUSYZEI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.31
Rot. Bonds10

About 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine

3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine (PubChem CID 115464856) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
PubChem CID115464856
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCCc1ccccc1COCCCN(C)C
InChIInChI=1S/C16H28N2O/c1-4-17-11-10-15-8-5-6-9-16(15)14-19-13-7-12-18(2)3/h5-6,8-9,17H,4,7,10-14H2,1-3H3
InChIKeyQKZNNXCBUSYZEI-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.31
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-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
CID 106667842
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
CID 115465015
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 115463916
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine (CID 115464856) is 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine is CCNCCc1ccccc1COCCCN(C)C.
What is the InChIKey of 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is QKZNNXCBUSYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-11-10-15-8-5-6-9-16(15)14-19-13-7-12-18(2)3/h5-6,8-9,17H,4,7,10-14H2,1-3H3.
What are the key properties of 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine?
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 115464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).