3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine

C13H17ClFN — CID 103050406

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H17ClFN/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h4-5,8-9,12H,1-3,6-7,16H2
InChIKeyJQVJHMQGIXRDTG-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.54
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine

3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 103050406) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID103050406
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H17ClFN/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h4-5,8-9,12H,1-3,6-7,16H2
InChIKeyJQVJHMQGIXRDTG-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine (CID 103050406) is 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine is NC1CCCC(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is JQVJHMQGIXRDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h4-5,8-9,12H,1-3,6-7,16H2.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103050406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).