(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol

C13H21NO — CID 96784262

IUPAC(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC[C@@H](C)O
InChIInChI=1S/C13H21NO/c1-10-6-4-5-7-13(10)12(3)14-9-8-11(2)15/h4-7,11-12,14-15H,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyRFYVCTOEEFWENX-VXGBXAGGSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol

(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol (PubChem CID 96784262) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
PubChem CID96784262
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC[C@@H](C)O
InChIInChI=1S/C13H21NO/c1-10-6-4-5-7-13(10)12(3)14-9-8-11(2)15/h4-7,11-12,14-15H,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyRFYVCTOEEFWENX-VXGBXAGGSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 103033487
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol (CID 96784262) is (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol is Cc1ccccc1[C@@H](C)NCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The InChIKey is RFYVCTOEEFWENX-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-4-5-7-13(10)12(3)14-9-8-11(2)15/h4-7,11-12,14-15H,8-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 96784262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).