1-[2-(2-methylphenyl)ethylamino]butan-2-ol

C13H21NO — CID 79749191

IUPAC1-[2-(2-methylphenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyKBLSRGNBUDPUMC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds6

About 1-[2-(2-methylphenyl)ethylamino]butan-2-ol

1-[2-(2-methylphenyl)ethylamino]butan-2-ol (PubChem CID 79749191) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethylamino]butan-2-ol
PubChem CID79749191
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[2-(2-methylphenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyKBLSRGNBUDPUMC-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.90
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

3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
2-[[2-(2-methylphenyl)ethylamino]methyl]butanenitrile
CID 115254066
2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 81094380
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(2-methylphenyl)ethylamino]butan-2-ol (CID 79749191) is 1-[2-(2-methylphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(2-methylphenyl)ethylamino]butan-2-ol is CCC(O)CNCCc1ccccc1C.
What is the InChIKey of 1-[2-(2-methylphenyl)ethylamino]butan-2-ol?
The InChIKey is KBLSRGNBUDPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)ethylamino]butan-2-ol?
1-[2-(2-methylphenyl)ethylamino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 79749191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).