[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine

C16H25NO2 — CID 106200284

IUPAC[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCOCCC2CCC2)cc1
InChIInChI=1S/C16H25NO2/c17-13-15-5-7-16(8-6-15)19-11-2-10-18-12-9-14-3-1-4-14/h5-8,14H,1-4,9-13,17H2
InChIKeyNPUCZQBKMKIBIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.12
Rot. Bonds9

About [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine

[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine (PubChem CID 106200284) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
PubChem CID106200284
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCOCCC2CCC2)cc1
InChIInChI=1S/C16H25NO2/c17-13-15-5-7-16(8-6-15)19-11-2-10-18-12-9-14-3-1-4-14/h5-8,14H,1-4,9-13,17H2
InChIKeyNPUCZQBKMKIBIX-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.12
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

[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311
[4-[3-(cyclopentylmethylsulfinyl)propoxy]phenyl]methanamine
CID 81334034
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine (CID 106200284) is [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine is NCc1ccc(OCCCOCCC2CCC2)cc1.
What is the InChIKey of [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine?
The InChIKey is NPUCZQBKMKIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c17-13-15-5-7-16(8-6-15)19-11-2-10-18-12-9-14-3-1-4-14/h5-8,14H,1-4,9-13,17H2.
What are the key properties of [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine?
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 106200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).