N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine

C16H27NO2 — CID 62107144

IUPACN-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCCC(C)OC(CNC(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-13(4)19-16(11-17-12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyOUSDJCZIWVZZAO-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds8

About N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine

N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 62107144) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID62107144
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCCC(C)OC(CNC(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-13(4)19-16(11-17-12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyOUSDJCZIWVZZAO-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
1-(2-bromo-1-propan-2-yloxyethyl)-3-methoxybenzene
CID 62113687
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418

Frequently Asked Questions

What is the IUPAC name of N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine (CID 62107144) is N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine is CCC(C)OC(CNC(C)C)c1cccc(OC)c1.
What is the InChIKey of N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is OUSDJCZIWVZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-13(4)19-16(11-17-12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine?
N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62107144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).