N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline

C15H20F4N2O — CID 59231322

IUPACN-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C15H20F4N2O/c16-14(17)15(18,19)22-13-3-1-2-12(8-13)21-9-10-4-6-11(20)7-5-10/h1-3,8,10-11,14,21H,4-7,9,20H2
InChIKeyJYCUYVVMYWADPN-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.85
Rot. Bonds6

About N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline

N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 59231322) has the molecular formula C15H20F4N2O and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID59231322
Molecular FormulaC15H20F4N2O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C15H20F4N2O/c16-14(17)15(18,19)22-13-3-1-2-12(8-13)21-9-10-4-6-11(20)7-5-10/h1-3,8,10-11,14,21H,4-7,9,20H2
InChIKeyJYCUYVVMYWADPN-UHFFFAOYSA-N
XLogP3.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline (CID 59231322) is N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline is NC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is JYCUYVVMYWADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O/c16-14(17)15(18,19)22-13-3-1-2-12(8-13)21-9-10-4-6-11(20)7-5-10/h1-3,8,10-11,14,21H,4-7,9,20H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline?
N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 320.33 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 59231322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).