2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile

C14H17FN2O — CID 112608780

IUPAC2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCNCc1cccc(F)c1OCC1(CC#N)CC1
InChIInChI=1S/C14H17FN2O/c1-17-9-11-3-2-4-12(15)13(11)18-10-14(5-6-14)7-8-16/h2-4,17H,5-7,9-10H2,1H3
InChIKeyNAKFZWCZCUKCSE-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.62
Rot. Bonds6

About 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 112608780) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID112608780
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCNCc1cccc(F)c1OCC1(CC#N)CC1
InChIInChI=1S/C14H17FN2O/c1-17-9-11-3-2-4-12(15)13(11)18-10-14(5-6-14)7-8-16/h2-4,17H,5-7,9-10H2,1H3
InChIKeyNAKFZWCZCUKCSE-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
2-[1-[[2-[(cyclopropylamino)methyl]-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 115953898
2-[1-[[2-(chloromethyl)-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 112613357
2-[1-[[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65481504
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480304
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
(E)-3-[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-fluorophenyl]prop-2-enoic acid
CID 115957049
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[2-(4,4-dimethylpent-2-ynoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114189788

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile (CID 112608780) is 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile is CNCc1cccc(F)c1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is NAKFZWCZCUKCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17-9-11-3-2-4-12(15)13(11)18-10-14(5-6-14)7-8-16/h2-4,17H,5-7,9-10H2,1H3.
What are the key properties of 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 112608780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).