N-[(2-fluorophenyl)methyl]cycloheptanamine

C14H20FN — CID 4719917

IUPACN-[(2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1ccccc1CNC1CCCCCC1
InChIInChI=1S/C14H20FN/c15-14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2
InChIKeyOSKRZODWETZXMG-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.64
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]cycloheptanamine (PubChem CID 4719917) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]cycloheptanamine
PubChem CID4719917
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1ccccc1CNC1CCCCCC1
InChIInChI=1S/C14H20FN/c15-14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2
InChIKeyOSKRZODWETZXMG-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]cycloheptanamine (CID 4719917) is N-[(2-fluorophenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]cycloheptanamine is Fc1ccccc1CNC1CCCCCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]cycloheptanamine?
The InChIKey is OSKRZODWETZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2.
What are the key properties of N-[(2-fluorophenyl)methyl]cycloheptanamine?
N-[(2-fluorophenyl)methyl]cycloheptanamine has a molecular weight of 221.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]cycloheptanamine is sourced from PubChem (CID 4719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).