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

C14H21FN2O — CID 117096227

IUPAC4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline
SMILESNCC1(COc2ccc(N)cc2F)CCCCC1
InChIInChI=1S/C14H21FN2O/c15-12-8-11(17)4-5-13(12)18-10-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16-17H2
InChIKeySNCYFFAWZIGPNJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.70
Rot. Bonds4

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

4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline (PubChem CID 117096227) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline
PubChem CID117096227
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline
SMILESNCC1(COc2ccc(N)cc2F)CCCCC1
InChIInChI=1S/C14H21FN2O/c15-12-8-11(17)4-5-13(12)18-10-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16-17H2
InChIKeySNCYFFAWZIGPNJ-UHFFFAOYSA-N
XLogP2.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline?
The IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline (CID 117096227) is 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline is NCC1(COc2ccc(N)cc2F)CCCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline?
The InChIKey is SNCYFFAWZIGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-12-8-11(17)4-5-13(12)18-10-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16-17H2.
What are the key properties of 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline?
4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline has a molecular weight of 252.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline is sourced from PubChem (CID 117096227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).