1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine

C15H25NO2 — CID 55018410

IUPAC1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
SMILESCCC(C)OC(c1cccc(OC)c1)C(N)CC
InChIInChI=1S/C15H25NO2/c1-5-11(3)18-15(14(16)6-2)12-8-7-9-13(10-12)17-4/h7-11,14-15H,5-6,16H2,1-4H3
InChIKeyYADAOZYFOLBGEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds7

About 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine

1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine (PubChem CID 55018410) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
PubChem CID55018410
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
SMILESCCC(C)OC(c1cccc(OC)c1)C(N)CC
InChIInChI=1S/C15H25NO2/c1-5-11(3)18-15(14(16)6-2)12-8-7-9-13(10-12)17-4/h7-11,14-15H,5-6,16H2,1-4H3
InChIKeyYADAOZYFOLBGEM-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yloxy-1-(3-methoxyphenyl)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-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118
N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62107144
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
CID 55017784
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
CID 82360005
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine (CID 55018410) is 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine is CCC(C)OC(c1cccc(OC)c1)C(N)CC.
What is the InChIKey of 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine?
The InChIKey is YADAOZYFOLBGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-11(3)18-15(14(16)6-2)12-8-7-9-13(10-12)17-4/h7-11,14-15H,5-6,16H2,1-4H3.
What are the key properties of 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine?
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 55018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).