(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol

C13H21NO — CID 97357890

IUPAC(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
SMILESCc1cc(C)cc([C@H](C)NC[C@H](C)O)c1
InChIInChI=1S/C13H21NO/c1-9-5-10(2)7-13(6-9)12(4)14-8-11(3)15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12-/m0/s1
InChIKeyCHGYSJDOFRUDEJ-RYUDHWBXSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds4

About (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol

(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol (PubChem CID 97357890) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
PubChem CID97357890
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
SMILESCc1cc(C)cc([C@H](C)NC[C@H](C)O)c1
InChIInChI=1S/C13H21NO/c1-9-5-10(2)7-13(6-9)12(4)14-8-11(3)15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12-/m0/s1
InChIKeyCHGYSJDOFRUDEJ-RYUDHWBXSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 81343196
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 62773929
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 106180105
2-bromo-N-[1-(3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717133
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol (CID 97357890) is (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol is Cc1cc(C)cc([C@H](C)NC[C@H](C)O)c1.
What is the InChIKey of (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol?
The InChIKey is CHGYSJDOFRUDEJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-10(2)7-13(6-9)12(4)14-8-11(3)15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol?
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 97357890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).