1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine

C14H23NO2 — CID 113438261

IUPAC1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
SMILESCOCCOc1ccccc1C(N)CC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)10-13(15)12-6-4-5-7-14(12)17-9-8-16-3/h4-7,11,13H,8-10,15H2,1-3H3
InChIKeyUCNSVZBLXHQLOW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine (PubChem CID 113438261) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
PubChem CID113438261
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
SMILESCOCCOc1ccccc1C(N)CC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)10-13(15)12-6-4-5-7-14(12)17-9-8-16-3/h4-7,11,13H,8-10,15H2,1-3H3
InChIKeyUCNSVZBLXHQLOW-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
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

1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
CID 105035232
2-(2-methoxyethoxy)-1-(2-methoxyphenyl)ethanamine
CID 43184458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine (CID 113438261) is 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine is COCCOc1ccccc1C(N)CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine?
The InChIKey is UCNSVZBLXHQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)10-13(15)12-6-4-5-7-14(12)17-9-8-16-3/h4-7,11,13H,8-10,15H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 113438261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).