2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile

C13H15FN2 — CID 146425373

IUPAC2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile
SMILESCN(Cc1cccc(F)c1C#N)CC1CC1
InChIInChI=1S/C13H15FN2/c1-16(8-10-5-6-10)9-11-3-2-4-13(14)12(11)7-15/h2-4,10H,5-6,8-9H2,1H3
InChIKeyXWNAYLDFPTWPAS-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.54
Rot. Bonds4

About 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile

2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile (PubChem CID 146425373) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile
PubChem CID146425373
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile
SMILESCN(Cc1cccc(F)c1C#N)CC1CC1
InChIInChI=1S/C13H15FN2/c1-16(8-10-5-6-10)9-11-3-2-4-13(14)12(11)7-15/h2-4,10H,5-6,8-9H2,1H3
InChIKeyXWNAYLDFPTWPAS-UHFFFAOYSA-N
XLogP2.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[tert-butyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 134586202
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile
CID 129344122
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716463
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
1-(3-bromocyclobutyl)-N-[(2-chloro-3-fluorophenyl)methyl]-N-methylmethanamine
CID 112654432
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-[[cyclopropylmethyl(methyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115361
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile (CID 146425373) is 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile is CN(Cc1cccc(F)c1C#N)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile?
The InChIKey is XWNAYLDFPTWPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-16(8-10-5-6-10)9-11-3-2-4-13(14)12(11)7-15/h2-4,10H,5-6,8-9H2,1H3.
What are the key properties of 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile?
2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile is sourced from PubChem (CID 146425373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).