(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C14H23NO2 — CID 103939511

IUPAC(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-11(15)12-7-5-6-8-13(12)16-9-10-17-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3/t11-/m0/s1
InChIKeyRVCTUHRLOKYUTG-NSHDSACASA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds5

About (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 103939511) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID103939511
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-11(15)12-7-5-6-8-13(12)16-9-10-17-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3/t11-/m0/s1
InChIKeyRVCTUHRLOKYUTG-NSHDSACASA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
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-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
(1S)-1-[2-(2-tert-butylsulfanylethoxy)phenyl]ethanamine
CID 114271256
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014750

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 103939511) is (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is C[C@H](N)c1ccccc1OCCOC(C)(C)C.
What is the InChIKey of (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is RVCTUHRLOKYUTG-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(15)12-7-5-6-8-13(12)16-9-10-17-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103939511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).