2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol

C17H29NO2 — CID 115637938

IUPAC2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
SMILESCc1cc(OCCN(C)C(C)(C)CO)ccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)16-8-7-15(11-14(16)3)20-10-9-18(6)17(4,5)12-19/h7-8,11,13,19H,9-10,12H2,1-6H3
InChIKeyNOUBTAWAGGUPSF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.20
Rot. Bonds7

About 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol

2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol (PubChem CID 115637938) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
PubChem CID115637938
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
SMILESCc1cc(OCCN(C)C(C)(C)CO)ccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)16-8-7-15(11-14(16)3)20-10-9-18(6)17(4,5)12-19/h7-8,11,13,19H,9-10,12H2,1-6H3
InChIKeyNOUBTAWAGGUPSF-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol (CID 115637938) is 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol is Cc1cc(OCCN(C)C(C)(C)CO)ccc1C(C)C.
What is the InChIKey of 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol?
The InChIKey is NOUBTAWAGGUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)16-8-7-15(11-14(16)3)20-10-9-18(6)17(4,5)12-19/h7-8,11,13,19H,9-10,12H2,1-6H3.
What are the key properties of 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol?
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol is sourced from PubChem (CID 115637938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).