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

C12H19NO — CID 81375054

IUPAC1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(C)O
InChIInChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)11(3)13-8-10(2)14/h4-7,10-11,13-14H,8H2,1-3H3/t10?,11-/m1/s1
InChIKeyUPPYQOUVAPOKRT-RRKGBCIJSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds4

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

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol (PubChem CID 81375054) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
PubChem CID81375054
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(C)O
InChIInChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)11(3)13-8-10(2)14/h4-7,10-11,13-14H,8H2,1-3H3/t10?,11-/m1/s1
InChIKeyUPPYQOUVAPOKRT-RRKGBCIJSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
CID 60647997
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol (CID 81375054) is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol is Cc1ccccc1[C@@H](C)NCC(C)O.
What is the InChIKey of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol?
The InChIKey is UPPYQOUVAPOKRT-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)11(3)13-8-10(2)14/h4-7,10-11,13-14H,8H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol?
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 81375054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).