(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol

C9H12ClNO2 — CID 2049238

IUPAC(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
SMILESNC[C@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2/t8-/m0/s1
InChIKeyWCTVXSRNGUMJKC-QMMMGPOBSA-N
MW201.65 g/mol
LogP1.04
Rot. Bonds4

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

(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 2049238) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
PubChem CID2049238
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
SMILESNC[C@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2/t8-/m0/s1
InChIKeyWCTVXSRNGUMJKC-QMMMGPOBSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
1-amino-3-[4-(2-methylsulfanylethoxy)phenoxy]propan-2-ol
CID 71364966
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol (CID 2049238) is (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol is NC[C@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is WCTVXSRNGUMJKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12ClNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2/t8-/m0/s1.
What are the key properties of (2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol?
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 201.65 g/mol, XLogP of 1.04, 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-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 2049238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).