N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine

C16H27NO2 — CID 115493382

IUPACN-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
SMILESCCCCc1ccc(OCCNCCOCC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-15-7-9-16(10-8-15)19-14-12-17-11-13-18-4-2/h7-10,17H,3-6,11-14H2,1-2H3
InChIKeyVJIGINZPMSCTEF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds11

About N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine

N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine (PubChem CID 115493382) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
PubChem CID115493382
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
SMILESCCCCc1ccc(OCCNCCOCC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-15-7-9-16(10-8-15)19-14-12-17-11-13-18-4-2/h7-10,17H,3-6,11-14H2,1-2H3
InChIKeyVJIGINZPMSCTEF-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
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-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine?
The IUPAC name of N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine (CID 115493382) is N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine is CCCCc1ccc(OCCNCCOCC)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine?
The InChIKey is VJIGINZPMSCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-15-7-9-16(10-8-15)19-14-12-17-11-13-18-4-2/h7-10,17H,3-6,11-14H2,1-2H3.
What are the key properties of N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine?
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 115493382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).