(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol

C13H21NO — CID 93081997

IUPAC(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
SMILESCC[C@@H](NC[C@H](C)O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14-9-11(3)15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13+/m0/s1
InChIKeyQUPRRXQQSPRVJV-WCQYABFASA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol

(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol (PubChem CID 93081997) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
PubChem CID93081997
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
SMILESCC[C@@H](NC[C@H](C)O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14-9-11(3)15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13+/m0/s1
InChIKeyQUPRRXQQSPRVJV-WCQYABFASA-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-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
CID 63980863
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-[1-(3,4,5-trifluorophenyl)propylamino]propan-2-ol
CID 58528719
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol (CID 93081997) is (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol is CC[C@@H](NC[C@H](C)O)c1ccc(C)cc1.
What is the InChIKey of (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol?
The InChIKey is QUPRRXQQSPRVJV-WCQYABFASA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(14-9-11(3)15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol?
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-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 (2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol is sourced from PubChem (CID 93081997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).