4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol

C13H21NO2 — CID 82982525

IUPAC4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
SMILESCOCC(C)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-16-4)14(3)11(2)12-5-7-13(15)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyNXGTUKCRNJHYDO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.42
Rot. Bonds5

About 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol

4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol (PubChem CID 82982525) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
PubChem CID82982525
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
SMILESCOCC(C)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-16-4)14(3)11(2)12-5-7-13(15)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyNXGTUKCRNJHYDO-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
CID 43191842
4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol (CID 82982525) is 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol is COCC(C)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol?
The InChIKey is NXGTUKCRNJHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-16-4)14(3)11(2)12-5-7-13(15)8-6-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol?
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol is sourced from PubChem (CID 82982525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).