1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine

C14H18Cl2FN — CID 68674322

IUPAC1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C14H18Cl2FN/c1-18-9-14(6-4-11(17)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyFRFZOFGUQVIKSJ-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.36
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine

1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine (PubChem CID 68674322) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine
PubChem CID68674322
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C14H18Cl2FN/c1-18-9-14(6-4-11(17)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyFRFZOFGUQVIKSJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine (CID 68674322) is 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine is CNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine?
The InChIKey is FRFZOFGUQVIKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c1-18-9-14(6-4-11(17)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,18H,4-7,9H2,1H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine?
1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine has a molecular weight of 290.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 68674322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).