2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol

C13H21NO — CID 117296704

IUPAC2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(CC(C)(C)N)c1
InChIInChI=1S/C13H21NO/c1-9(2)10-5-6-12(15)11(7-10)8-13(3,4)14/h5-7,9,15H,8,14H2,1-4H3
InChIKeyXUTQGKRRVVPTTG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol

2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol (PubChem CID 117296704) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
PubChem CID117296704
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(CC(C)(C)N)c1
InChIInChI=1S/C13H21NO/c1-9(2)10-5-6-12(15)11(7-10)8-13(3,4)14/h5-7,9,15H,8,14H2,1-4H3
InChIKeyXUTQGKRRVVPTTG-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076
2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
CID 117341092
1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
CID 117299425
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
CID 102455260
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
2-ethyl-5-propan-2-ylphenol
CID 45096246
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol (CID 117296704) is 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol is CC(C)c1ccc(O)c(CC(C)(C)N)c1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol?
The InChIKey is XUTQGKRRVVPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10-5-6-12(15)11(7-10)8-13(3,4)14/h5-7,9,15H,8,14H2,1-4H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol?
2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol has a molecular weight of 207.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol is sourced from PubChem (CID 117296704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).