N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine

C14H19ClFN — CID 79033184

IUPACN-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1c(Cl)cccc1CNC1CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyUIUOOGVMOFMOEA-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.29
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine

N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine (PubChem CID 79033184) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
PubChem CID79033184
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1c(Cl)cccc1CNC1CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyUIUOOGVMOFMOEA-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86779123
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine (CID 79033184) is N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine is Fc1c(Cl)cccc1CNC1CCCCCC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine?
The InChIKey is UIUOOGVMOFMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine?
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine has a molecular weight of 255.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine is sourced from PubChem (CID 79033184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).