(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol

C13H20ClNO2 — CID 756928

IUPAC(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccccc1Cl)C[C@H](C)O
InChIInChI=1S/C13H20ClNO2/c1-10(16)7-15(8-11(2)17)9-12-5-3-4-6-13(12)14/h3-6,10-11,16-17H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLPFZHQQEAZUCTP-QWRGUYRKSA-N
MW257.76 g/mol
LogP1.90
Rot. Bonds6

About (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol

(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 756928) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID756928
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccccc1Cl)C[C@H](C)O
InChIInChI=1S/C13H20ClNO2/c1-10(16)7-15(8-11(2)17)9-12-5-3-4-6-13(12)14/h3-6,10-11,16-17H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLPFZHQQEAZUCTP-QWRGUYRKSA-N
XLogP1.90
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
3-[(2-chlorophenyl)methyl-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82327645
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
N-[(2-chlorophenyl)methyl]-N-methylformamide
CID 64992323
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol (CID 756928) is (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol is C[C@H](O)CN(Cc1ccccc1Cl)C[C@H](C)O.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is LPFZHQQEAZUCTP-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(16)7-15(8-11(2)17)9-12-5-3-4-6-13(12)14/h3-6,10-11,16-17H,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).