2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile

C10H12N2O2 — CID 130001937

IUPAC2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile
SMILESCOc1ccc(C(N)CO)c(C#N)c1
InChIInChI=1S/C10H12N2O2/c1-14-8-2-3-9(10(12)6-13)7(4-8)5-11/h2-4,10,13H,6,12H2,1H3
InChIKeySOEVZRRLLSUCDZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.56
Rot. Bonds3

About 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile

2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile (PubChem CID 130001937) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile
PubChem CID130001937
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile
SMILESCOc1ccc(C(N)CO)c(C#N)c1
InChIInChI=1S/C10H12N2O2/c1-14-8-2-3-9(10(12)6-13)7(4-8)5-11/h2-4,10,13H,6,12H2,1H3
InChIKeySOEVZRRLLSUCDZ-UHFFFAOYSA-N
XLogP0.56
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
2-[(1S)-1-aminopropyl]-4-methoxybenzonitrile
CID 130744260
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
2-[(1S)-1-amino-2-hydroxyethyl]-5-(trifluoromethyl)benzonitrile
CID 66515112
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
2-(1-hydroxypropan-2-ylamino)-4-methoxybenzonitrile
CID 81305599
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methoxybenzonitrile
CID 81302476
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile (CID 130001937) is 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile is COc1ccc(C(N)CO)c(C#N)c1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile?
The InChIKey is SOEVZRRLLSUCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-8-2-3-9(10(12)6-13)7(4-8)5-11/h2-4,10,13H,6,12H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile?
2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile is sourced from PubChem (CID 130001937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).