(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol

C13H20ClNO2 — CID 174835527

IUPAC(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol
SMILESCc1cccc(Cl)c1OCC[C@H](CO)CCN
InChIInChI=1S/C13H20ClNO2/c1-10-3-2-4-12(14)13(10)17-8-6-11(9-16)5-7-15/h2-4,11,16H,5-9,15H2,1H3/t11-/m1/s1
InChIKeyXGBWJRFQCGZWCV-LLVKDONJSA-N
MW257.76 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol

(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol (PubChem CID 174835527) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol
PubChem CID174835527
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol
SMILESCc1cccc(Cl)c1OCC[C@H](CO)CCN
InChIInChI=1S/C13H20ClNO2/c1-10-3-2-4-12(14)13(10)17-8-6-11(9-16)5-7-15/h2-4,11,16H,5-9,15H2,1H3/t11-/m1/s1
InChIKeyXGBWJRFQCGZWCV-LLVKDONJSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
2-(2-chloro-6-methylphenoxy)acetyl chloride
CID 90385043
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid
CID 161092850
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
2-[3-chloro-2-(4-methylpentoxy)phenyl]ethanamine
CID 112615068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol?
The IUPAC name of (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol (CID 174835527) is (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol.
What is the SMILES notation for (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol?
The canonical SMILES for (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol is Cc1cccc(Cl)c1OCC[C@H](CO)CCN.
What is the InChIKey of (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol?
The InChIKey is XGBWJRFQCGZWCV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10-3-2-4-12(14)13(10)17-8-6-11(9-16)5-7-15/h2-4,11,16H,5-9,15H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol?
(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.37, 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-(2-chloro-6-methylphenoxy)butan-1-ol is sourced from PubChem (CID 174835527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).