(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine

C15H25NO2 — CID 100557587

IUPAC(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
SMILESCOCCN[C@H](C)c1cccc(OCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)11-18-15-7-5-6-14(10-15)13(3)16-8-9-17-4/h5-7,10,12-13,16H,8-9,11H2,1-4H3/t13-/m1/s1
InChIKeyLNDOANFGPHDOOL-CYBMUJFWSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds8

About (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine

(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 100557587) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
PubChem CID100557587
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
SMILESCOCCN[C@H](C)c1cccc(OCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)11-18-15-7-5-6-14(10-15)13(3)16-8-9-17-4/h5-7,10,12-13,16H,8-9,11H2,1-4H3/t13-/m1/s1
InChIKeyLNDOANFGPHDOOL-CYBMUJFWSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
1-(3-ethoxypropyl)-2-[1-[3-(2-methylpropoxy)phenyl]ethyl]hydrazine
CID 142399565
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine (CID 100557587) is (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine is COCCN[C@H](C)c1cccc(OCC(C)C)c1.
What is the InChIKey of (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is LNDOANFGPHDOOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)11-18-15-7-5-6-14(10-15)13(3)16-8-9-17-4/h5-7,10,12-13,16H,8-9,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine?
(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 100557587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).