(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol

C10H14ClNO2 — CID 9159069

IUPAC(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN
InChIInChI=1S/C10H14ClNO2/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3/t9-/m0/s1
InChIKeyDGLFKLZBJWAYQV-VIFPVBQESA-N
MW215.68 g/mol
LogP1.35
Rot. Bonds4

About (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol

(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol (PubChem CID 9159069) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
PubChem CID9159069
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN
InChIInChI=1S/C10H14ClNO2/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3/t9-/m0/s1
InChIKeyDGLFKLZBJWAYQV-VIFPVBQESA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
3-(4-chloro-2-methylphenoxy)-2-ethoxypropan-1-amine
CID 63069683
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
CID 59761773
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44828171
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2R)-1-(4-chloro-2-methylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1353039
(2S)-1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-amine
CID 39110054
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 1351068
(2R)-1-(4-chloro-2-methylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
CID 6948220
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol (CID 9159069) is (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol is Cc1cc(Cl)ccc1OC[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The InChIKey is DGLFKLZBJWAYQV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol?
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 9159069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).