(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile

C14H18N2O — CID 124516636

IUPAC(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile
SMILESCc1ccc(CN2CCOC[C@H]2C#N)cc1C
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(7-12(11)2)9-16-5-6-17-10-14(16)8-15/h3-4,7,14H,5-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyLCIPVEYULYZUJO-CQSZACIVSA-N
MW230.31 g/mol
LogP2.03
Rot. Bonds2

About (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile

(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile (PubChem CID 124516636) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile
PubChem CID124516636
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile
SMILESCc1ccc(CN2CCOC[C@H]2C#N)cc1C
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(7-12(11)2)9-16-5-6-17-10-14(16)8-15/h3-4,7,14H,5-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyLCIPVEYULYZUJO-CQSZACIVSA-N
XLogP2.03
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile?
The IUPAC name of (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile (CID 124516636) is (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile.
What is the SMILES notation for (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile?
The canonical SMILES for (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile is Cc1ccc(CN2CCOC[C@H]2C#N)cc1C.
What is the InChIKey of (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile?
The InChIKey is LCIPVEYULYZUJO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-4-13(7-12(11)2)9-16-5-6-17-10-14(16)8-15/h3-4,7,14H,5-6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile?
(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile is sourced from PubChem (CID 124516636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).