(1R)-1-(2-butoxy-4-methylphenyl)ethanamine

C13H21NO — CID 63639629

IUPAC(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
SMILESCCCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C13H21NO/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11H,4-5,8,14H2,1-3H3/t11-/m1/s1
InChIKeyCYHIXROCGMAPSK-LLVKDONJSA-N
MW207.32 g/mol
LogP3.19
Rot. Bonds5

About (1R)-1-(2-butoxy-4-methylphenyl)ethanamine

(1R)-1-(2-butoxy-4-methylphenyl)ethanamine (PubChem CID 63639629) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-(2-butoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
PubChem CID63639629
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
SMILESCCCCOc1cc(C)ccc1[C@@H](C)N
InChIInChI=1S/C13H21NO/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11H,4-5,8,14H2,1-3H3/t11-/m1/s1
InChIKeyCYHIXROCGMAPSK-LLVKDONJSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 63639457
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375
(1S)-1-[2-(2-tert-butylsulfanylethoxy)-4-methylphenyl]ethanamine
CID 114271257

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-butoxy-4-methylphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-butoxy-4-methylphenyl)ethanamine (CID 63639629) is (1R)-1-(2-butoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-butoxy-4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-butoxy-4-methylphenyl)ethanamine is CCCCOc1cc(C)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-butoxy-4-methylphenyl)ethanamine?
The InChIKey is CYHIXROCGMAPSK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11H,4-5,8,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-butoxy-4-methylphenyl)ethanamine?
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-butoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 63639629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).