[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine

C13H17ClFN — CID 58954842

IUPAC[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H17ClFN/c14-11-8-10(4-5-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyKPLAPMIQSJDNJP-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.64
Rot. Bonds2

About [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine

[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine (PubChem CID 58954842) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine
PubChem CID58954842
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H17ClFN/c14-11-8-10(4-5-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyKPLAPMIQSJDNJP-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine (CID 58954842) is [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine is NCC1(c2ccc(F)c(Cl)c2)CCCCC1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine?
The InChIKey is KPLAPMIQSJDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-11-8-10(4-5-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine?
[1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine has a molecular weight of 241.74 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 58954842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).