N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine

C14H18F3N — CID 65099214

IUPACN-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine
SMILESFc1cc(F)c(CNC2CCCCCC2)c(F)c1
InChIInChI=1S/C14H18F3N/c15-10-7-13(16)12(14(17)8-10)9-18-11-5-3-1-2-4-6-11/h7-8,11,18H,1-6,9H2
InChIKeyAJAODKRGKSQKGG-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.92
Rot. Bonds3

About N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine

N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine (PubChem CID 65099214) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine
PubChem CID65099214
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine
SMILESFc1cc(F)c(CNC2CCCCCC2)c(F)c1
InChIInChI=1S/C14H18F3N/c15-10-7-13(16)12(14(17)8-10)9-18-11-5-3-1-2-4-6-11/h7-8,11,18H,1-6,9H2
InChIKeyAJAODKRGKSQKGG-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
CID 82781872
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
3-[(cyclooctylamino)methyl]-4-fluorobenzonitrile
CID 28575792
3,5-difluoro-4-[[(3-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 107037997
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine (CID 65099214) is N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine is Fc1cc(F)c(CNC2CCCCCC2)c(F)c1.
What is the InChIKey of N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine?
The InChIKey is AJAODKRGKSQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-10-7-13(16)12(14(17)8-10)9-18-11-5-3-1-2-4-6-11/h7-8,11,18H,1-6,9H2.
What are the key properties of N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine?
N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine has a molecular weight of 257.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine is sourced from PubChem (CID 65099214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).