2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol

C10H14ClNO — CID 117288945

IUPAC2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)N)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-6-4-9(13)7(5-8(6)11)10(2,3)12/h4-5,13H,12H2,1-3H3
InChIKeyDZNMPRJJHZTUBU-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.55
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol

2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol (PubChem CID 117288945) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
PubChem CID117288945
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)N)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-6-4-9(13)7(5-8(6)11)10(2,3)12/h4-5,13H,12H2,1-3H3
InChIKeyDZNMPRJJHZTUBU-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol (CID 117288945) is 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol is Cc1cc(O)c(C(C)(C)N)cc1Cl.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol?
The InChIKey is DZNMPRJJHZTUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-4-9(13)7(5-8(6)11)10(2,3)12/h4-5,13H,12H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol?
2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol is sourced from PubChem (CID 117288945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).