N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine

C16H27NO — CID 113314855

IUPACN-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
SMILESCCCCCOCc1ccccc1CCNCC
InChIInChI=1S/C16H27NO/c1-3-5-8-13-18-14-16-10-7-6-9-15(16)11-12-17-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyDOXOJGHTQJGCPX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.55
Rot. Bonds10

About N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine

N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine (PubChem CID 113314855) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
PubChem CID113314855
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
SMILESCCCCCOCc1ccccc1CCNCC
InChIInChI=1S/C16H27NO/c1-3-5-8-13-18-14-16-10-7-6-9-15(16)11-12-17-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyDOXOJGHTQJGCPX-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
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-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
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-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene
CID 67292261
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine (CID 113314855) is N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine is CCCCCOCc1ccccc1CCNCC.
What is the InChIKey of N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine?
The InChIKey is DOXOJGHTQJGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-8-13-18-14-16-10-7-6-9-15(16)11-12-17-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine?
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 113314855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).