[2-(2-butan-2-yloxyethoxy)phenyl]methanamine

C13H21NO2 — CID 60903164

IUPAC[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
SMILESCCC(C)OCCOc1ccccc1CN
InChIInChI=1S/C13H21NO2/c1-3-11(2)15-8-9-16-13-7-5-4-6-12(13)10-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyVWDVSWSKFWSCTH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds7

About [2-(2-butan-2-yloxyethoxy)phenyl]methanamine

[2-(2-butan-2-yloxyethoxy)phenyl]methanamine (PubChem CID 60903164) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(2-butan-2-yloxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
PubChem CID60903164
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
SMILESCCC(C)OCCOc1ccccc1CN
InChIInChI=1S/C13H21NO2/c1-3-11(2)15-8-9-16-13-7-5-4-6-12(13)10-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyVWDVSWSKFWSCTH-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
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-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
CID 43254260
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
CID 102986888
[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-butan-2-yloxyethoxy)phenyl]methanamine?
The IUPAC name of [2-(2-butan-2-yloxyethoxy)phenyl]methanamine (CID 60903164) is [2-(2-butan-2-yloxyethoxy)phenyl]methanamine.
What is the SMILES notation for [2-(2-butan-2-yloxyethoxy)phenyl]methanamine?
The canonical SMILES for [2-(2-butan-2-yloxyethoxy)phenyl]methanamine is CCC(C)OCCOc1ccccc1CN.
What is the InChIKey of [2-(2-butan-2-yloxyethoxy)phenyl]methanamine?
The InChIKey is VWDVSWSKFWSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11(2)15-8-9-16-13-7-5-4-6-12(13)10-14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of [2-(2-butan-2-yloxyethoxy)phenyl]methanamine?
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butan-2-yloxyethoxy)phenyl]methanamine is sourced from PubChem (CID 60903164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).