4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile

C15H19FN2O — CID 117096305

IUPAC4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCC2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-8-12(9-17)4-5-14(13)19-11-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,10-11,18H2
InChIKeyKKUTYEZKANDWGR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.99
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile

4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile (PubChem CID 117096305) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile
PubChem CID117096305
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCC2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-8-12(9-17)4-5-14(13)19-11-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,10-11,18H2
InChIKeyKKUTYEZKANDWGR-UHFFFAOYSA-N
XLogP2.99
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline
CID 117096227
4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-fluorobenzonitrile
CID 107670340
3-fluoro-4-[(1-hydroxy-4-methylcyclohexyl)methoxy]benzonitrile
CID 109416180
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
CID 65002199
4-[[1-(sulfanylmethyl)cyclobutyl]methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468398
3-ethoxy-4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213657
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
4-[(1-aminocycloheptyl)methoxymethyl]-3-fluorobenzonitrile
CID 64549154
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
3-fluoro-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 62372817
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile (CID 117096305) is 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCC2(CN)CCCCC2)c(F)c1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile?
The InChIKey is KKUTYEZKANDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-8-12(9-17)4-5-14(13)19-11-15(10-18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,10-11,18H2.
What are the key properties of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile?
4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 117096305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).