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

C12H19NO — CID 106932064

IUPAC(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCc1cccc(CCNC[C@@H](C)O)c1
InChIInChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyWRYXULCPHHZSDY-LLVKDONJSA-N
MW193.29 g/mol
LogP1.51
Rot. Bonds5

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

(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol (PubChem CID 106932064) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
PubChem CID106932064
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCc1cccc(CCNC[C@@H](C)O)c1
InChIInChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyWRYXULCPHHZSDY-LLVKDONJSA-N
XLogP1.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine
CID 142861995
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol (CID 106932064) is (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol is Cc1cccc(CCNC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The InChIKey is WRYXULCPHHZSDY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol?
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 106932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).