2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane

C14H24N2O — CID 142227423

IUPAC2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
SMILESCC.CC.Cc1cc(CC(N)C#N)ccc1O
InChIInChI=1S/C10H12N2O.2C2H6/c1-7-4-8(2-3-10(7)13)5-9(12)6-11;2*1-2/h2-4,9,13H,5,12H2,1H3;2*1-2H3
InChIKeyRPFOOGYWLARLQZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds2

About 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane

2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane (PubChem CID 142227423) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
PubChem CID142227423
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
SMILESCC.CC.Cc1cc(CC(N)C#N)ccc1O
InChIInChI=1S/C10H12N2O.2C2H6/c1-7-4-8(2-3-10(7)13)5-9(12)6-11;2*1-2/h2-4,9,13H,5,12H2,1H3;2*1-2H3
InChIKeyRPFOOGYWLARLQZ-UHFFFAOYSA-N
XLogP3.15
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-3-methylphenyl)-2-(4-hydroxyphenyl)propanenitrile
CID 44574976
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile
CID 69314072
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
2-[(3,4-dimethylphenyl)methyl]-3-hydroxypropanenitrile
CID 55163673
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267
2-amino-3-(4-fluorophenyl)propanenitrile
CID 45090820
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane?
The IUPAC name of 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane (CID 142227423) is 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane.
What is the SMILES notation for 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane?
The canonical SMILES for 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane is CC.CC.Cc1cc(CC(N)C#N)ccc1O.
What is the InChIKey of 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane?
The InChIKey is RPFOOGYWLARLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2C2H6/c1-7-4-8(2-3-10(7)13)5-9(12)6-11;2*1-2/h2-4,9,13H,5,12H2,1H3;2*1-2H3.
What are the key properties of 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane?
2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane has a molecular weight of 236.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane is sourced from PubChem (CID 142227423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).