(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine

C15H25NO2 — CID 113355509

IUPAC(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-14(16)12-6-8-13(9-7-12)17-10-11-18-15(2,3)4/h6-9,14H,5,10-11,16H2,1-4H3/t14-/m0/s1
InChIKeyXIOWRVKJHOZOKH-AWEZNQCLSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds6

About (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine

(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine (PubChem CID 113355509) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
PubChem CID113355509
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-14(16)12-6-8-13(9-7-12)17-10-11-18-15(2,3)4/h6-9,14H,5,10-11,16H2,1-4H3/t14-/m0/s1
InChIKeyXIOWRVKJHOZOKH-AWEZNQCLSA-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-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
4-[4-[(1R)-1-aminopropyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65246951

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine (CID 113355509) is (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCCOC(C)(C)C)cc1.
What is the InChIKey of (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
The InChIKey is XIOWRVKJHOZOKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-14(16)12-6-8-13(9-7-12)17-10-11-18-15(2,3)4/h6-9,14H,5,10-11,16H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine?
(1S)-1-[4-[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 (1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 113355509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).