2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile

C14H17BrN2 — CID 107418654

IUPAC2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
SMILESCC1CCCC1CNc1ccc(C#N)c(Br)c1
InChIInChI=1S/C14H17BrN2/c1-10-3-2-4-12(10)9-17-13-6-5-11(8-16)14(15)7-13/h5-7,10,12,17H,2-4,9H2,1H3
InChIKeyNTEQMKNOWJECEI-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile

2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile (PubChem CID 107418654) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
PubChem CID107418654
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
SMILESCC1CCCC1CNc1ccc(C#N)c(Br)c1
InChIInChI=1S/C14H17BrN2/c1-10-3-2-4-12(10)9-17-13-6-5-11(8-16)14(15)7-13/h5-7,10,12,17H,2-4,9H2,1H3
InChIKeyNTEQMKNOWJECEI-UHFFFAOYSA-N
XLogP4.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 107276475
5-[(2-methylcyclopentyl)methylamino]-2-nitrobenzonitrile
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3-bromo-5-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418671
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391
2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 107276281
2-chloro-4-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778489
2-chloro-4-[[(1R,2S)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778487
2-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]benzonitrile
CID 107280326
2-bromo-4-[(1-hydroxycyclohexyl)methylamino]benzonitrile
CID 107280349
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
2-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]benzonitrile
CID 112736065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The IUPAC name of 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile (CID 107418654) is 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The canonical SMILES for 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile is CC1CCCC1CNc1ccc(C#N)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The InChIKey is NTEQMKNOWJECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-10-3-2-4-12(10)9-17-13-6-5-11(8-16)14(15)7-13/h5-7,10,12,17H,2-4,9H2,1H3.
What are the key properties of 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile has a molecular weight of 293.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile is sourced from PubChem (CID 107418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).