3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile

C14H19N3O — CID 107106367

IUPAC3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
SMILESCc1cccc(C#N)c1NCCN1CCOCC1
InChIInChI=1S/C14H19N3O/c1-12-3-2-4-13(11-15)14(12)16-5-6-17-7-9-18-10-8-17/h2-4,16H,5-10H2,1H3
InChIKeyGELNTWHOCXUIFN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile

3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile (PubChem CID 107106367) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
PubChem CID107106367
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
SMILESCc1cccc(C#N)c1NCCN1CCOCC1
InChIInChI=1S/C14H19N3O/c1-12-3-2-4-13(11-15)14(12)16-5-6-17-7-9-18-10-8-17/h2-4,16H,5-10H2,1H3
InChIKeyGELNTWHOCXUIFN-UHFFFAOYSA-N
XLogP1.61
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107106445
2-[2-(azepan-1-yl)ethylamino]-3-methylbenzonitrile
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3-methyl-2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
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N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
2-[3-(ethylamino)propylamino]-3-methylbenzonitrile
CID 107111346
3-methyl-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
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3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
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2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
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2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile (CID 107106367) is 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile is Cc1cccc(C#N)c1NCCN1CCOCC1.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The InChIKey is GELNTWHOCXUIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-3-2-4-13(11-15)14(12)16-5-6-17-7-9-18-10-8-17/h2-4,16H,5-10H2,1H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile is sourced from PubChem (CID 107106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).