1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine

C16H25NO2 — CID 66040201

IUPAC1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1c(CC(C)N)cccc1OCC
InChIInChI=1S/C16H25NO2/c1-5-12(3)11-19-16-14(10-13(4)17)8-7-9-15(16)18-6-2/h7-9,13H,3,5-6,10-11,17H2,1-2,4H3
InChIKeyOVJFRONZWXZTHQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds8

About 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine

1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine (PubChem CID 66040201) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
PubChem CID66040201
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1c(CC(C)N)cccc1OCC
InChIInChI=1S/C16H25NO2/c1-5-12(3)11-19-16-14(10-13(4)17)8-7-9-15(16)18-6-2/h7-9,13H,3,5-6,10-11,17H2,1-2,4H3
InChIKeyOVJFRONZWXZTHQ-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476278
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine (CID 66040201) is 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine is C=C(CC)COc1c(CC(C)N)cccc1OCC.
What is the InChIKey of 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine?
The InChIKey is OVJFRONZWXZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-12(3)11-19-16-14(10-13(4)17)8-7-9-15(16)18-6-2/h7-9,13H,3,5-6,10-11,17H2,1-2,4H3.
What are the key properties of 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine?
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 66040201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).