2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile

C15H19ClN2O — CID 112615677

IUPAC2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cccc(Cl)c1OCC1(CC#N)CC1
InChIInChI=1S/C15H19ClN2O/c1-11(18)9-12-3-2-4-13(16)14(12)19-10-15(5-6-15)7-8-17/h2-4,11H,5-7,9-10,18H2,1H3
InChIKeyBNCASHTVKDAWIH-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.30
Rot. Bonds6

About 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 112615677) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID112615677
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cccc(Cl)c1OCC1(CC#N)CC1
InChIInChI=1S/C15H19ClN2O/c1-11(18)9-12-3-2-4-13(16)14(12)19-10-15(5-6-15)7-8-17/h2-4,11H,5-7,9-10,18H2,1H3
InChIKeyBNCASHTVKDAWIH-UHFFFAOYSA-N
XLogP3.30
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
2-[1-[[2-(chloromethyl)-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 112613357
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
CID 112615652
2-[1-[[4-(1-aminoethyl)-2-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 113389720
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 112608780
2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
2-[1-[[2-[(cyclopropylamino)methyl]-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 115953898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile (CID 112615677) is 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile is CC(N)Cc1cccc(Cl)c1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is BNCASHTVKDAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(18)9-12-3-2-4-13(16)14(12)19-10-15(5-6-15)7-8-17/h2-4,11H,5-7,9-10,18H2,1H3.
What are the key properties of 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 278.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 112615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).