2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile

C14H17BrN2 — CID 65492388

IUPAC2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN(Cc1ccc(Br)cc1)CC1(CC#N)CC1
InChIInChI=1S/C14H17BrN2/c1-17(11-14(6-7-14)8-9-16)10-12-2-4-13(15)5-3-12/h2-5H,6-8,10-11H2,1H3
InChIKeyDCNAATSZVLCTKF-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65492388) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65492388
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN(Cc1ccc(Br)cc1)CC1(CC#N)CC1
InChIInChI=1S/C14H17BrN2/c1-17(11-14(6-7-14)8-9-16)10-12-2-4-13(15)5-3-12/h2-5H,6-8,10-11H2,1H3
InChIKeyDCNAATSZVLCTKF-UHFFFAOYSA-N
XLogP3.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile (CID 65492388) is 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile is CN(Cc1ccc(Br)cc1)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is DCNAATSZVLCTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-17(11-14(6-7-14)8-9-16)10-12-2-4-13(15)5-3-12/h2-5H,6-8,10-11H2,1H3.
What are the key properties of 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 293.21 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65492388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).