2-[2-(4-butylphenyl)ethoxy]ethanamine

C14H23NO — CID 65300871

IUPAC2-[2-(4-butylphenyl)ethoxy]ethanamine
SMILESCCCCc1ccc(CCOCCN)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-13-5-7-14(8-6-13)9-11-16-12-10-15/h5-8H,2-4,9-12,15H2,1H3
InChIKeyJRUGJRFZEBHPPY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds8

About 2-[2-(4-butylphenyl)ethoxy]ethanamine

2-[2-(4-butylphenyl)ethoxy]ethanamine (PubChem CID 65300871) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)ethoxy]ethanamine
PubChem CID65300871
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-(4-butylphenyl)ethoxy]ethanamine
SMILESCCCCc1ccc(CCOCCN)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-13-5-7-14(8-6-13)9-11-16-12-10-15/h5-8H,2-4,9-12,15H2,1H3
InChIKeyJRUGJRFZEBHPPY-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
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

1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene
CID 59329390
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
2-(4-butylphenyl)ethyl acetate
CID 91655434
4-(2-pentoxyethyl)phenol
CID 67806399
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
2-pentoxyethylbenzene
CID 3022447
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-butylphenyl)ethoxy]ethanamine (CID 65300871) is 2-[2-(4-butylphenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-butylphenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-butylphenyl)ethoxy]ethanamine is CCCCc1ccc(CCOCCN)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)ethoxy]ethanamine?
The InChIKey is JRUGJRFZEBHPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-13-5-7-14(8-6-13)9-11-16-12-10-15/h5-8H,2-4,9-12,15H2,1H3.
What are the key properties of 2-[2-(4-butylphenyl)ethoxy]ethanamine?
2-[2-(4-butylphenyl)ethoxy]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)ethoxy]ethanamine is sourced from PubChem (CID 65300871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).