N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine

C17H29NO — CID 115464625

IUPACN-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccccc1COCCCC(C)C
InChIInChI=1S/C17H29NO/c1-4-18-12-11-16-9-5-6-10-17(16)14-19-13-7-8-15(2)3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyMRGRLICJKLSFIB-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.79
Rot. Bonds10

About N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine

N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine (PubChem CID 115464625) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
PubChem CID115464625
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccccc1COCCCC(C)C
InChIInChI=1S/C17H29NO/c1-4-18-12-11-16-9-5-6-10-17(16)14-19-13-7-8-15(2)3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyMRGRLICJKLSFIB-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.79
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

N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
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-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[4-methoxy-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 62017826
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine (CID 115464625) is N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine is CCNCCc1ccccc1COCCCC(C)C.
What is the InChIKey of N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine?
The InChIKey is MRGRLICJKLSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-18-12-11-16-9-5-6-10-17(16)14-19-13-7-8-15(2)3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine?
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine has a molecular weight of 263.42 g/mol, XLogP of 3.79, 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-(4-methylpentoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 115464625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).