(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride

C13H22ClNO2 — CID 68628093

IUPAC(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride
SMILESCc1ccc(OCC[C@H](CO)CCN)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11-2-4-13(5-3-11)16-9-7-12(10-15)6-8-14;/h2-5,12,15H,6-10,14H2,1H3;1H/t12-;/m1./s1
InChIKeyRZRHTNXZUOHCQK-UTONKHPSSA-N
MW259.78 g/mol
LogP2.14
Rot. Bonds7

About (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride

(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride (PubChem CID 68628093) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride
PubChem CID68628093
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride
SMILESCc1ccc(OCC[C@H](CO)CCN)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11-2-4-13(5-3-11)16-9-7-12(10-15)6-8-14;/h2-5,12,15H,6-10,14H2,1H3;1H/t12-;/m1./s1
InChIKeyRZRHTNXZUOHCQK-UTONKHPSSA-N
XLogP2.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
CID 117236908
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
CID 28918398
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride (CID 68628093) is (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride is Cc1ccc(OCC[C@H](CO)CCN)cc1.Cl.
What is the InChIKey of (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride?
The InChIKey is RZRHTNXZUOHCQK-UTONKHPSSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-11-2-4-13(5-3-11)16-9-7-12(10-15)6-8-14;/h2-5,12,15H,6-10,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride?
(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride is sourced from PubChem (CID 68628093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).