[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine

C14H19ClFNO — CID 107882768

IUPAC[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine
SMILESNCC1CCCCC1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c15-12-6-5-10(7-13(12)16)9-18-14-4-2-1-3-11(14)8-17/h5-7,11,14H,1-4,8-9,17H2
InChIKeyLVKFADJEXNJSCE-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.51
Rot. Bonds4

About [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine

[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine (PubChem CID 107882768) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine
PubChem CID107882768
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine
SMILESNCC1CCCCC1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c15-12-6-5-10(7-13(12)16)9-18-14-4-2-1-3-11(14)8-17/h5-7,11,14H,1-4,8-9,17H2
InChIKeyLVKFADJEXNJSCE-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine (CID 107882768) is [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine is NCC1CCCCC1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine?
The InChIKey is LVKFADJEXNJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-12-6-5-10(7-13(12)16)9-18-14-4-2-1-3-11(14)8-17/h5-7,11,14H,1-4,8-9,17H2.
What are the key properties of [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine?
[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine has a molecular weight of 271.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107882768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).