3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile

C10H11ClN2O — CID 131151165

IUPAC3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
SMILESCOC[C@H](N)c1cccc(C#N)c1Cl
InChIInChI=1S/C10H11ClN2O/c1-14-6-9(13)8-4-2-3-7(5-12)10(8)11/h2-4,9H,6,13H2,1H3/t9-/m0/s1
InChIKeyFVLFHIJHIGQHKQ-VIFPVBQESA-N
MW210.66 g/mol
LogP1.86
Rot. Bonds3

About 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile

3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile (PubChem CID 131151165) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
PubChem CID131151165
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
SMILESCOC[C@H](N)c1cccc(C#N)c1Cl
InChIInChI=1S/C10H11ClN2O/c1-14-6-9(13)8-4-2-3-7(5-12)10(8)11/h2-4,9H,6,13H2,1H3/t9-/m0/s1
InChIKeyFVLFHIJHIGQHKQ-VIFPVBQESA-N
XLogP1.86
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-2-[(1R)-1-amino-2-methoxyethyl]benzonitrile
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(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
2-(1-amino-2-methoxyethyl)-6-chlorophenol
CID 130061439
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790
3-[(1S)-1-amino-2-cyanoethyl]-2-methylbenzonitrile
CID 130969797

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile?
The IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile (CID 131151165) is 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile.
What is the SMILES notation for 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile?
The canonical SMILES for 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile is COC[C@H](N)c1cccc(C#N)c1Cl.
What is the InChIKey of 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile?
The InChIKey is FVLFHIJHIGQHKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-14-6-9(13)8-4-2-3-7(5-12)10(8)11/h2-4,9H,6,13H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile?
3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile has a molecular weight of 210.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile is sourced from PubChem (CID 131151165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).