2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine

C19H33NO — CID 79619901

IUPAC2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccc(C(C)C)c(OCC(C)(C)CNCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)11-20-12-19(6,7)13-21-18-10-16(5)8-9-17(18)15(3)4/h8-10,14-15,20H,11-13H2,1-7H3
InChIKeySWNATNZXKOZCBB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.77
Rot. Bonds8

About 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine

2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine (PubChem CID 79619901) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
PubChem CID79619901
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccc(C(C)C)c(OCC(C)(C)CNCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)11-20-12-19(6,7)13-21-18-10-16(5)8-9-17(18)15(3)4/h8-10,14-15,20H,11-13H2,1-7H3
InChIKeySWNATNZXKOZCBB-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79626708
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63496259
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435
2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81341307
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
2-[2-(bromomethyl)-2-propylpentoxy]-4-methyl-1-propan-2-ylbenzene
CID 65005932

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine (CID 79619901) is 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine is Cc1ccc(C(C)C)c(OCC(C)(C)CNCC(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is SWNATNZXKOZCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)11-20-12-19(6,7)13-21-18-10-16(5)8-9-17(18)15(3)4/h8-10,14-15,20H,11-13H2,1-7H3.
What are the key properties of 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine?
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79619901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).