2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile

C14H18N2O — CID 65480924

IUPAC2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](N)c1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-11(16)12-2-4-13(5-3-12)17-10-14(6-7-14)8-9-15/h2-5,11H,6-8,10,16H2,1H3/t11-/m0/s1
InChIKeyZPIZSBDULPCVDO-NSHDSACASA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65480924) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65480924
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](N)c1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-11(16)12-2-4-13(5-3-12)17-10-14(6-7-14)8-9-15/h2-5,11H,6-8,10,16H2,1H3/t11-/m0/s1
InChIKeyZPIZSBDULPCVDO-NSHDSACASA-N
XLogP2.78
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[4-(1-aminoethyl)-2-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 113389720
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
2-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480304
2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
CID 79776192
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
2-[1-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]cyclopropyl]acetonitrile
CID 116805233
2-[1-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 113389661
2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 82001771
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile (CID 65480924) is 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile is C[C@H](N)c1ccc(OCC2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is ZPIZSBDULPCVDO-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(16)12-2-4-13(5-3-12)17-10-14(6-7-14)8-9-15/h2-5,11H,6-8,10,16H2,1H3/t11-/m0/s1.
What are the key properties of 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).