3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile

C15H22FN3 — CID 103188929

IUPAC3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
SMILESCCN(Cc1cc(F)cc(C#N)c1)C(C)CN(C)C
InChIInChI=1S/C15H22FN3/c1-5-19(12(2)10-18(3)4)11-14-6-13(9-17)7-15(16)8-14/h6-8,12H,5,10-11H2,1-4H3
InChIKeyUZLFERIBXBEWKR-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.47
Rot. Bonds6

About 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile

3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile (PubChem CID 103188929) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
PubChem CID103188929
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
SMILESCCN(Cc1cc(F)cc(C#N)c1)C(C)CN(C)C
InChIInChI=1S/C15H22FN3/c1-5-19(12(2)10-18(3)4)11-14-6-13(9-17)7-15(16)8-14/h6-8,12H,5,10-11H2,1-4H3
InChIKeyUZLFERIBXBEWKR-UHFFFAOYSA-N
XLogP2.47
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-4-fluorobenzonitrile
CID 103188917
3-fluoro-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzonitrile
CID 112659601
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108873
3-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
CID 43274509
4-[3-[1-(dimethylamino)propan-2-yl-ethylamino]propoxy]benzonitrile
CID 103188933
2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189441
3-fluoro-5-(3-methylbutylsulfanylmethyl)benzonitrile
CID 107749556
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
3-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)benzonitrile
CID 107749495
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-fluorobenzonitrile
CID 106614926

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile?
The IUPAC name of 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile (CID 103188929) is 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile is CCN(Cc1cc(F)cc(C#N)c1)C(C)CN(C)C.
What is the InChIKey of 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile?
The InChIKey is UZLFERIBXBEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-5-19(12(2)10-18(3)4)11-14-6-13(9-17)7-15(16)8-14/h6-8,12H,5,10-11H2,1-4H3.
What are the key properties of 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile?
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile has a molecular weight of 263.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile is sourced from PubChem (CID 103188929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).