2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol

C16H27NO3 — CID 60686361

IUPAC2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
SMILESCc1cc(OCCN(CCO)CCO)ccc1C(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)16-5-4-15(12-14(16)3)20-11-8-17(6-9-18)7-10-19/h4-5,12-13,18-19H,6-11H2,1-3H3
InChIKeyLVZSBMNXRRXZJY-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds9

About 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol

2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol (PubChem CID 60686361) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
PubChem CID60686361
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
SMILESCc1cc(OCCN(CCO)CCO)ccc1C(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)16-5-4-15(12-14(16)3)20-11-8-17(6-9-18)7-10-19/h4-5,12-13,18-19H,6-11H2,1-3H3
InChIKeyLVZSBMNXRRXZJY-UHFFFAOYSA-N
XLogP1.78
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
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-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
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
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
CID 60835313
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 22680521
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol (CID 60686361) is 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol is Cc1cc(OCCN(CCO)CCO)ccc1C(C)C.
What is the InChIKey of 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The InChIKey is LVZSBMNXRRXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)16-5-4-15(12-14(16)3)20-11-8-17(6-9-18)7-10-19/h4-5,12-13,18-19H,6-11H2,1-3H3.
What are the key properties of 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 60686361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).