(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine

C15H25NO2 — CID 103939558

IUPAC(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-5-13(16)12-8-6-7-9-14(12)17-10-11-18-15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3/t13-/m1/s1
InChIKeyQMEQRFDRBWWMFJ-CYBMUJFWSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds6

About (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine

(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine (PubChem CID 103939558) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
PubChem CID103939558
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-5-13(16)12-8-6-7-9-14(12)17-10-11-18-15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3/t13-/m1/s1
InChIKeyQMEQRFDRBWWMFJ-CYBMUJFWSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.29
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-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014750
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine (CID 103939558) is (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCCOC(C)(C)C.
What is the InChIKey of (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The InChIKey is QMEQRFDRBWWMFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-13(16)12-8-6-7-9-14(12)17-10-11-18-15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 103939558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).