2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile

C15H20N2O — CID 65480727

IUPAC2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCC[C@@H](N)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13H,2,7-9,11,17H2,1H3/t13-/m1/s1
InChIKeyNJJNVRWKLVTSMV-CYBMUJFWSA-N
MW244.34 g/mol
LogP3.17
Rot. Bonds6

About 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65480727) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65480727
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCC[C@@H](N)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13H,2,7-9,11,17H2,1H3/t13-/m1/s1
InChIKeyNJJNVRWKLVTSMV-CYBMUJFWSA-N
XLogP3.17
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
2-[1-[(2-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497135
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[4-(2-aminobutyl)-2-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 65496791
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile (CID 65480727) is 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile is CC[C@@H](N)c1ccccc1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is NJJNVRWKLVTSMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13H,2,7-9,11,17H2,1H3/t13-/m1/s1.
What are the key properties of 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).