N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine

C17H29NO2 — CID 106667842

IUPACN-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COCCC(C)(C)OC
InChIInChI=1S/C17H29NO2/c1-5-18-12-10-15-8-6-7-9-16(15)14-20-13-11-17(2,3)19-4/h6-9,18H,5,10-14H2,1-4H3
InChIKeyZCIRYGCIWYLSCZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds10

About N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine

N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine (PubChem CID 106667842) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
PubChem CID106667842
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COCCC(C)(C)OC
InChIInChI=1S/C17H29NO2/c1-5-18-12-10-15-8-6-7-9-16(15)14-20-13-11-17(2,3)19-4/h6-9,18H,5,10-14H2,1-4H3
InChIKeyZCIRYGCIWYLSCZ-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
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-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 106667907
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
CID 115465015
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464581
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine (CID 106667842) is N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine is CCNCCc1ccccc1COCCC(C)(C)OC.
What is the InChIKey of N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine?
The InChIKey is ZCIRYGCIWYLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-18-12-10-15-8-6-7-9-16(15)14-20-13-11-17(2,3)19-4/h6-9,18H,5,10-14H2,1-4H3.
What are the key properties of N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine?
N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 106667842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).