(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine

C13H21NO — CID 63367361

IUPAC(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
SMILESCCC(C)Oc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C13H21NO/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h6-8,10-11H,5,14H2,1-4H3/t10?,11-/m1/s1
InChIKeyFANBPFCUWXKFRQ-RRKGBCIJSA-N
MW207.32 g/mol
LogP3.19
Rot. Bonds4

About (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine

(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine (PubChem CID 63367361) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
PubChem CID63367361
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
SMILESCCC(C)Oc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C13H21NO/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h6-8,10-11H,5,14H2,1-4H3/t10?,11-/m1/s1
InChIKeyFANBPFCUWXKFRQ-RRKGBCIJSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine
CID 60889989
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(2-butan-2-yloxy-5-methylphenyl)-trifluoroboranuide
CID 63678318
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine (CID 63367361) is (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine is CCC(C)Oc1ccc(C)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine?
The InChIKey is FANBPFCUWXKFRQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h6-8,10-11H,5,14H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine?
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 63367361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).