1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine

C16H27NO2 — CID 43183961

IUPAC1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCOc1ccc(C)cc1C(N)COC(C)CC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)8-13(4)19-10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15H,8,10,17H2,1-5H3
InChIKeyRKURSHAAYQZTNV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.45
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine (PubChem CID 43183961) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
PubChem CID43183961
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCOc1ccc(C)cc1C(N)COC(C)CC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)8-13(4)19-10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15H,8,10,17H2,1-5H3
InChIKeyRKURSHAAYQZTNV-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64728380
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine (CID 43183961) is 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine is COc1ccc(C)cc1C(N)COC(C)CC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine?
The InChIKey is RKURSHAAYQZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)8-13(4)19-10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15H,8,10,17H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine is sourced from PubChem (CID 43183961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).