3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile

C16H20FN3 — CID 106620098

IUPAC3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(N(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C16H20FN3/c17-14-6-13(9-18)7-16(8-14)20(10-12-3-4-12)11-15-2-1-5-19-15/h6-8,12,15,19H,1-5,10-11H2
InChIKeyFDZBZZKRGCIYKP-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.67
Rot. Bonds5

About 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile

3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile (PubChem CID 106620098) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile
PubChem CID106620098
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(N(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C16H20FN3/c17-14-6-13(9-18)7-16(8-14)20(10-12-3-4-12)11-15-2-1-5-19-15/h6-8,12,15,19H,1-5,10-11H2
InChIKeyFDZBZZKRGCIYKP-UHFFFAOYSA-N
XLogP2.67
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 106643489
5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106620212
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-fluorobenzonitrile
CID 106614926
3,5-difluoro-4-[propyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106619820
3-[bis(cyclopropylmethyl)amino]-5-bromobenzonitrile
CID 102816537
3-bromo-5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106620864
3-fluoro-5-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635781
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107883167
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
CID 66518446
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile (CID 106620098) is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)cc(N(CC2CC2)CC2CCCN2)c1.
What is the InChIKey of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The InChIKey is FDZBZZKRGCIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-14-6-13(9-18)7-16(8-14)20(10-12-3-4-12)11-15-2-1-5-19-15/h6-8,12,15,19H,1-5,10-11H2.
What are the key properties of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile has a molecular weight of 273.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 106620098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).