1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine

C15H25NO3 — CID 60907393

IUPAC1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
SMILESCCOc1cccc(CC(N)CC)c1OCCOC
InChIInChI=1S/C15H25NO3/c1-4-13(16)11-12-7-6-8-14(18-5-2)15(12)19-10-9-17-3/h6-8,13H,4-5,9-11,16H2,1-3H3
InChIKeyXKLRIPWQQKFPRV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds9

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

1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine (PubChem CID 60907393) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
PubChem CID60907393
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
SMILESCCOc1cccc(CC(N)CC)c1OCCOC
InChIInChI=1S/C15H25NO3/c1-4-13(16)11-12-7-6-8-14(18-5-2)15(12)19-10-9-17-3/h6-8,13H,4-5,9-11,16H2,1-3H3
InChIKeyXKLRIPWQQKFPRV-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476278
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
CID 112752251
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-(bromomethyl)-3-ethoxy-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410402

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine (CID 60907393) is 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine is CCOc1cccc(CC(N)CC)c1OCCOC.
What is the InChIKey of 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine?
The InChIKey is XKLRIPWQQKFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-13(16)11-12-7-6-8-14(18-5-2)15(12)19-10-9-17-3/h6-8,13H,4-5,9-11,16H2,1-3H3.
What are the key properties of 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine?
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).