(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol

C13H21NO — CID 93082546

IUPAC(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc([C@H](C)N[C@H](C)CO)cc1C
InChIInChI=1S/C13H21NO/c1-9-5-6-13(7-10(9)2)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12+/m1/s1
InChIKeyIDUYKVFIUYWTAF-NEPJUHHUSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds4

About (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol

(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol (PubChem CID 93082546) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
PubChem CID93082546
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc([C@H](C)N[C@H](C)CO)cc1C
InChIInChI=1S/C13H21NO/c1-9-5-6-13(7-10(9)2)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12+/m1/s1
InChIKeyIDUYKVFIUYWTAF-NEPJUHHUSA-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)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol (CID 93082546) is (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol is Cc1ccc([C@H](C)N[C@H](C)CO)cc1C.
What is the InChIKey of (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is IDUYKVFIUYWTAF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-6-13(7-10(9)2)12(4)14-11(3)8-15/h5-7,11-12,14-15H,8H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol?
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]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 (2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 93082546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).