1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine

C14H20FN — CID 81027217

IUPAC1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccccc1F
InChIInChI=1S/C14H20FN/c1-16-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyPADNZNSGYFKMTM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine

1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81027217) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81027217
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccccc1F
InChIInChI=1S/C14H20FN/c1-16-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyPADNZNSGYFKMTM-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine (CID 81027217) is 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is PADNZNSGYFKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-16-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81027217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).