1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine

C15H23NO3 — CID 63563631

IUPAC1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-3-12(16)8-11-9-13(17-2)4-5-15(11)19-14-6-7-18-10-14/h4-5,9,12,14H,3,6-8,10,16H2,1-2H3
InChIKeyNOWMHUDAAYEMBV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine

1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine (PubChem CID 63563631) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
PubChem CID63563631
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-3-12(16)8-11-9-13(17-2)4-5-15(11)19-14-6-7-18-10-14/h4-5,9,12,14H,3,6-8,10,16H2,1-2H3
InChIKeyNOWMHUDAAYEMBV-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-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

1-[2-(1,1-dioxothiolan-3-yl)oxy-5-methoxyphenyl]butan-2-amine
CID 61057800
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
4-bromo-2-[(4-methoxyphenyl)methyl]-5-(oxolan-3-yloxy)aniline
CID 69262614
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
1-[3,5-dichloro-2-(oxan-3-yloxy)phenyl]butan-2-amine
CID 107137127
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine (CID 63563631) is 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine is CCC(N)Cc1cc(OC)ccc1OC1CCOC1.
What is the InChIKey of 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine?
The InChIKey is NOWMHUDAAYEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-12(16)8-11-9-13(17-2)4-5-15(11)19-14-6-7-18-10-14/h4-5,9,12,14H,3,6-8,10,16H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine?
1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine is sourced from PubChem (CID 63563631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).