4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol

C9H13NO — CID 169441539

IUPAC4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol
SMILES[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])c1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/i1D3,6D2,7D
InChIKeyGIKNHHRFLCDOEU-UUASTNDZSA-N
MW157.25 g/mol
LogP1.28
Rot. Bonds3

About 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol

4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol (PubChem CID 169441539) has the molecular formula C9H13NO and a molecular weight of 157.25 g/mol. Its IUPAC name is 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol.

Molecular Properties

Compound Name4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol
PubChem CID169441539
Molecular FormulaC9H13NO
Molecular Weight157.25 g/mol
Exact Mass157.14
IUPAC Name4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol
SMILES[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])c1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/i1D3,6D2,7D
InChIKeyGIKNHHRFLCDOEU-UUASTNDZSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2,3,3-trideuterio-3-(4-hydroxyphenyl)propanoic acid
CID 169045187
(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid
CID 46200028
4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol
CID 10797243
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
ethane;4-(phosphanylmethyl)phenol
CID 144577973
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[2,2,3,4,5,5-hexadeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 162642036
4-(phosphanylmethyl)phenol
CID 58879736
2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
CID 134866153

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol?
The IUPAC name of 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol (CID 169441539) is 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol.
What is the SMILES notation for 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol?
The canonical SMILES for 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol is [2H]C([2H])([2H])C([2H])(N)C([2H])([2H])c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol?
The InChIKey is GIKNHHRFLCDOEU-UUASTNDZSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/i1D3,6D2,7D.
What are the key properties of 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol?
4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol has a molecular weight of 157.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol is sourced from PubChem (CID 169441539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).