[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine

C15H21F2N — CID 65390913

IUPAC[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C15H21F2N/c16-13-5-6-14(17)12(9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyQMIMVJPLJSWUOX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds3

About [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine

[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine (PubChem CID 65390913) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
PubChem CID65390913
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C15H21F2N/c16-13-5-6-14(17)12(9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyQMIMVJPLJSWUOX-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine (CID 65390913) is [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine is NCC1(Cc2cc(F)ccc2F)CCCCCC1.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is QMIMVJPLJSWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-13-5-6-14(17)12(9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine?
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 65390913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).