[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine

C15H25NO2 — CID 43254260

IUPAC[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
SMILESCC(C)CC(C)OCCOc1ccccc1CN
InChIInChI=1S/C15H25NO2/c1-12(2)10-13(3)17-8-9-18-15-7-5-4-6-14(15)11-16/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyZLSQFMZLQVYWPG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.98
Rot. Bonds8

About [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine

[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine (PubChem CID 43254260) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
PubChem CID43254260
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
SMILESCC(C)CC(C)OCCOc1ccccc1CN
InChIInChI=1S/C15H25NO2/c1-12(2)10-13(3)17-8-9-18-15-7-5-4-6-14(15)11-16/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyZLSQFMZLQVYWPG-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.98
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

[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine
CID 107752271
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine (CID 43254260) is [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine is CC(C)CC(C)OCCOc1ccccc1CN.
What is the InChIKey of [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine?
The InChIKey is ZLSQFMZLQVYWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)10-13(3)17-8-9-18-15-7-5-4-6-14(15)11-16/h4-7,12-13H,8-11,16H2,1-3H3.
What are the key properties of [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine?
[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).