(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol

C13H21NO — CID 103788966

IUPAC(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C)c(C(C)N[C@@H](C)CO)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-10(2)13(7-9)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12?/m0/s1
InChIKeySRGHBHOAAAQLPU-PXYINDEMSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol

(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol (PubChem CID 103788966) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
PubChem CID103788966
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C)c(C(C)N[C@@H](C)CO)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-10(2)13(7-9)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12?/m0/s1
InChIKeySRGHBHOAAAQLPU-PXYINDEMSA-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

N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63463078
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350300
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
CID 60673321
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167967
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol (CID 103788966) is (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol is Cc1ccc(C)c(C(C)N[C@@H](C)CO)c1.
What is the InChIKey of (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is SRGHBHOAAAQLPU-PXYINDEMSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-6-10(2)13(7-9)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of (2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol?
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-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)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 103788966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).