3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol

C13H20ClNO2 — CID 164642658

IUPAC3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol
SMILESCC(C)[C@@](C)(O)CNCc1cc(O)cc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-9(2)13(3,17)8-15-7-10-4-11(14)6-12(16)5-10/h4-6,9,15-17H,7-8H2,1-3H3/t13-/m0/s1
InChIKeySUTSLVLTQRMJBW-ZDUSSCGKSA-N
MW257.76 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol

3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol (PubChem CID 164642658) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol
PubChem CID164642658
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol
SMILESCC(C)[C@@](C)(O)CNCc1cc(O)cc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-9(2)13(3,17)8-15-7-10-4-11(14)6-12(16)5-10/h4-6,9,15-17H,7-8H2,1-3H3/t13-/m0/s1
InChIKeySUTSLVLTQRMJBW-ZDUSSCGKSA-N
XLogP2.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol?
The IUPAC name of 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol (CID 164642658) is 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol.
What is the SMILES notation for 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol?
The canonical SMILES for 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol is CC(C)[C@@](C)(O)CNCc1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol?
The InChIKey is SUTSLVLTQRMJBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-9(2)13(3,17)8-15-7-10-4-11(14)6-12(16)5-10/h4-6,9,15-17H,7-8H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol?
3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol has a molecular weight of 257.76 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[[(2R)-2-hydroxy-2,3-dimethylbutyl]amino]methyl]phenol is sourced from PubChem (CID 164642658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).