(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol

C12H19NO — CID 93288092

IUPAC(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
SMILESCc1cccc([C@@H](C)NC[C@@H](C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-4-6-12(7-9)11(3)13-8-10(2)14/h4-7,10-11,13-14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyFSFGSQQEDMFPKY-GHMZBOCLSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds4

About (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol

(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol (PubChem CID 93288092) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
PubChem CID93288092
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
SMILESCc1cccc([C@@H](C)NC[C@@H](C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-4-6-12(7-9)11(3)13-8-10(2)14/h4-7,10-11,13-14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyFSFGSQQEDMFPKY-GHMZBOCLSA-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

(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol (CID 93288092) is (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol is Cc1cccc([C@@H](C)NC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The InChIKey is FSFGSQQEDMFPKY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-4-6-12(7-9)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 (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
(2R)-1-[[(1R)-1-(3-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 (2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93288092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).