1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol

C15H25NO — CID 78963628

IUPAC1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1cc(C)ccc1C)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-9-12(2)7-8-13(14)3/h7-9,17H,6,10-11H2,1-5H3
InChIKeyPCSLMBCYNOJMOL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 78963628) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID78963628
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1cc(C)ccc1C)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-9-12(2)7-8-13(14)3/h7-9,17H,6,10-11H2,1-5H3
InChIKeyPCSLMBCYNOJMOL-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 78963538
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
3-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropanethioamide
CID 54987523
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962061
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3-fluorobenzonitrile
CID 78927351
2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
CID 114263776

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 78963628) is 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1cc(C)ccc1C)CC(C)(C)O.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is PCSLMBCYNOJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-9-12(2)7-8-13(14)3/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).