N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline

C18H29FN2 — CID 63493667

IUPACN-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
SMILESCCC1CCC(NC)C(CN(CC)c2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-4-14-9-10-18(20-3)15(11-14)13-21(5-2)17-8-6-7-16(19)12-17/h6-8,12,14-15,18,20H,4-5,9-11,13H2,1-3H3
InChIKeyBZUCIIFIQZAULQ-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds6

About N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline

N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline (PubChem CID 63493667) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
PubChem CID63493667
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
SMILESCCC1CCC(NC)C(CN(CC)c2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-4-14-9-10-18(20-3)15(11-14)13-21(5-2)17-8-6-7-16(19)12-17/h6-8,12,14-15,18,20H,4-5,9-11,13H2,1-3H3
InChIKeyBZUCIIFIQZAULQ-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline?
The IUPAC name of N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline (CID 63493667) is N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline is CCC1CCC(NC)C(CN(CC)c2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline?
The InChIKey is BZUCIIFIQZAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-14-9-10-18(20-3)15(11-14)13-21(5-2)17-8-6-7-16(19)12-17/h6-8,12,14-15,18,20H,4-5,9-11,13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline?
N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline has a molecular weight of 292.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline is sourced from PubChem (CID 63493667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).