2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile

C11H13ClN2O — CID 60907852

IUPAC2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
SMILESCC(N)Cc1cc(Cl)ccc1OCC#N
InChIInChI=1S/C11H13ClN2O/c1-8(14)6-9-7-10(12)2-3-11(9)15-5-4-13/h2-3,7-8H,5-6,14H2,1H3
InChIKeyHBMIHTAKLVPWML-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile

2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile (PubChem CID 60907852) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
PubChem CID60907852
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
SMILESCC(N)Cc1cc(Cl)ccc1OCC#N
InChIInChI=1S/C11H13ClN2O/c1-8(14)6-9-7-10(12)2-3-11(9)15-5-4-13/h2-3,7-8H,5-6,14H2,1H3
InChIKeyHBMIHTAKLVPWML-UHFFFAOYSA-N
XLogP2.13
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
CID 131218490
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile (CID 60907852) is 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile is CC(N)Cc1cc(Cl)ccc1OCC#N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile?
The InChIKey is HBMIHTAKLVPWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(14)6-9-7-10(12)2-3-11(9)15-5-4-13/h2-3,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile?
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile has a molecular weight of 224.69 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile is sourced from PubChem (CID 60907852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).