4-amino-2,6-bis[(2S)-butan-2-yl]phenol

C14H23NO — CID 5324617

IUPAC4-amino-2,6-bis[(2S)-butan-2-yl]phenol
SMILESCC[C@H](C)c1cc(N)cc([C@@H](C)CC)c1O
InChIInChI=1S/C14H23NO/c1-5-9(3)12-7-11(15)8-13(14(12)16)10(4)6-2/h7-10,16H,5-6,15H2,1-4H3/t9-,10-/m0/s1
InChIKeyHTVPOKHZOMXVJR-UWVGGRQHSA-N
MW221.34 g/mol
LogP4.00
Rot. Bonds4

About 4-amino-2,6-bis[(2S)-butan-2-yl]phenol

4-amino-2,6-bis[(2S)-butan-2-yl]phenol (PubChem CID 5324617) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-amino-2,6-bis[(2S)-butan-2-yl]phenol.

Molecular Properties

Compound Name4-amino-2,6-bis[(2S)-butan-2-yl]phenol
PubChem CID5324617
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-amino-2,6-bis[(2S)-butan-2-yl]phenol
SMILESCC[C@H](C)c1cc(N)cc([C@@H](C)CC)c1O
InChIInChI=1S/C14H23NO/c1-5-9(3)12-7-11(15)8-13(14(12)16)10(4)6-2/h7-10,16H,5-6,15H2,1-4H3/t9-,10-/m0/s1
InChIKeyHTVPOKHZOMXVJR-UWVGGRQHSA-N
XLogP4.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-bis[(2S)-butan-2-yl]phenol?
The IUPAC name of 4-amino-2,6-bis[(2S)-butan-2-yl]phenol (CID 5324617) is 4-amino-2,6-bis[(2S)-butan-2-yl]phenol.
What is the SMILES notation for 4-amino-2,6-bis[(2S)-butan-2-yl]phenol?
The canonical SMILES for 4-amino-2,6-bis[(2S)-butan-2-yl]phenol is CC[C@H](C)c1cc(N)cc([C@@H](C)CC)c1O.
What is the InChIKey of 4-amino-2,6-bis[(2S)-butan-2-yl]phenol?
The InChIKey is HTVPOKHZOMXVJR-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9(3)12-7-11(15)8-13(14(12)16)10(4)6-2/h7-10,16H,5-6,15H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 4-amino-2,6-bis[(2S)-butan-2-yl]phenol?
4-amino-2,6-bis[(2S)-butan-2-yl]phenol has a molecular weight of 221.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-bis[(2S)-butan-2-yl]phenol is sourced from PubChem (CID 5324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).