1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine

C14H19F2N — CID 114935178

IUPAC1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2N/c1-17-9-11-5-2-4-10(11)8-12-13(15)6-3-7-14(12)16/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3
InChIKeyDHMGYTXLAQHLNB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine

1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine (PubChem CID 114935178) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
PubChem CID114935178
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2N/c1-17-9-11-5-2-4-10(11)8-12-13(15)6-3-7-14(12)16/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3
InChIKeyDHMGYTXLAQHLNB-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
CID 114935146
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 114933070
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
CID 81034120
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine (CID 114935178) is 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine is CNCC1CCCC1Cc1c(F)cccc1F.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The InChIKey is DHMGYTXLAQHLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-17-9-11-5-2-4-10(11)8-12-13(15)6-3-7-14(12)16/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 114935178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).