(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine

C14H23NO2 — CID 104647105

IUPAC(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
SMILESCOCCCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(12(2)15)14(10-11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyFORJNMQLGWDDME-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds7

About (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine

(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine (PubChem CID 104647105) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
PubChem CID104647105
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
SMILESCOCCCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(12(2)15)14(10-11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyFORJNMQLGWDDME-GFCCVEGCSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
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

(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 63639457
(1S)-1-[2-(2-tert-butylsulfanylethoxy)-4-methylphenyl]ethanamine
CID 114271257
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1S)-1-[4-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 104891255

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine (CID 104647105) is (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine is COCCCCOc1cc(C)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine?
The InChIKey is FORJNMQLGWDDME-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-7-13(12(2)15)14(10-11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine?
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 104647105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).