N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline

C17H27FN2 — CID 63493479

IUPACN-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
SMILESCCC1CCC(N)C(CN(CC)c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-3-13-8-9-17(19)14(10-13)12-20(4-2)16-7-5-6-15(18)11-16/h5-7,11,13-14,17H,3-4,8-10,12,19H2,1-2H3
InChIKeyYKVRCTFPTZPVCK-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline

N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline (PubChem CID 63493479) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
PubChem CID63493479
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
SMILESCCC1CCC(N)C(CN(CC)c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-3-13-8-9-17(19)14(10-13)12-20(4-2)16-7-5-6-15(18)11-16/h5-7,11,13-14,17H,3-4,8-10,12,19H2,1-2H3
InChIKeyYKVRCTFPTZPVCK-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline (CID 63493479) is N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline is CCC1CCC(N)C(CN(CC)c2cccc(F)c2)C1.
What is the InChIKey of N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is YKVRCTFPTZPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-13-8-9-17(19)14(10-13)12-20(4-2)16-7-5-6-15(18)11-16/h5-7,11,13-14,17H,3-4,8-10,12,19H2,1-2H3.
What are the key properties of N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline?
N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 278.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 63493479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).