2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile

C14H18FN3O — CID 107119032

IUPAC2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1F)CC1CNCCO1
InChIInChI=1S/C14H18FN3O/c1-18(10-13-8-17-5-6-19-13)9-12-4-2-3-11(7-16)14(12)15/h2-4,13,17H,5-6,8-10H2,1H3
InChIKeySVFIADIEMUVRDR-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.12
Rot. Bonds4

About 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile

2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile (PubChem CID 107119032) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
PubChem CID107119032
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1F)CC1CNCCO1
InChIInChI=1S/C14H18FN3O/c1-18(10-13-8-17-5-6-19-13)9-12-4-2-3-11(7-16)14(12)15/h2-4,13,17H,5-6,8-10H2,1H3
InChIKeySVFIADIEMUVRDR-UHFFFAOYSA-N
XLogP1.12
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 104792890
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
N-[[4-(difluoromethyl)phenyl]methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 115524679
3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103912415

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile (CID 107119032) is 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1F)CC1CNCCO1.
What is the InChIKey of 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is SVFIADIEMUVRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18(10-13-8-17-5-6-19-13)9-12-4-2-3-11(7-16)14(12)15/h2-4,13,17H,5-6,8-10H2,1H3.
What are the key properties of 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile?
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 263.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 107119032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).