[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine

C15H21F2N — CID 81010182

IUPAC[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c16-14-8-4-7-12(15(14)17)9-11-5-2-1-3-6-13(11)10-18/h4,7-8,11,13H,1-3,5-6,9-10,18H2
InChIKeyFNZSJWNVKOFNPG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.66
Rot. Bonds3

About [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine

[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine (PubChem CID 81010182) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
PubChem CID81010182
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c16-14-8-4-7-12(15(14)17)9-11-5-2-1-3-6-13(11)10-18/h4,7-8,11,13H,1-3,5-6,9-10,18H2
InChIKeyFNZSJWNVKOFNPG-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
CID 114935146
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
(2,3-difluorophenyl)methanamine
CID 2736941
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
4-bromo-3-[(2,3-difluorophenyl)methyl]oxane
CID 106471640
4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
CID 83190277

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine (CID 81010182) is [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine is NCC1CCCCCC1Cc1cccc(F)c1F.
What is the InChIKey of [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is FNZSJWNVKOFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-14-8-4-7-12(15(14)17)9-11-5-2-1-3-6-13(11)10-18/h4,7-8,11,13H,1-3,5-6,9-10,18H2.
What are the key properties of [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 81010182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).