2-methyl-1-(2-propan-2-ylanilino)propan-2-ol

C13H21NO — CID 39241882

IUPAC2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccccc1NCC(C)(C)O
InChIInChI=1S/C13H21NO/c1-10(2)11-7-5-6-8-12(11)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyCIBIJJTYMXORDH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol

2-methyl-1-(2-propan-2-ylanilino)propan-2-ol (PubChem CID 39241882) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
PubChem CID39241882
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccccc1NCC(C)(C)O
InChIInChI=1S/C13H21NO/c1-10(2)11-7-5-6-8-12(11)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyCIBIJJTYMXORDH-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-chloroethyl)-2-propan-2-ylaniline
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2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
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4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-(2-methylidenebutyl)-2-propan-2-ylaniline
CID 66045915
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
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N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
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N-pentyl-2-propan-2-ylaniline
CID 29268175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol (CID 39241882) is 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol is CC(C)c1ccccc1NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol?
The InChIKey is CIBIJJTYMXORDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)11-7-5-6-8-12(11)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol?
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 39241882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).