4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine

C18H28FNO — CID 63475772

IUPAC4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccccc1F
InChIInChI=1S/C18H28FNO/c1-5-20-15-11-10-13(18(2,3)4)12-17(15)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeySMSPEUKZAIWUJB-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.40
Rot. Bonds4

About 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine

4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine (PubChem CID 63475772) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine
PubChem CID63475772
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccccc1F
InChIInChI=1S/C18H28FNO/c1-5-20-15-11-10-13(18(2,3)4)12-17(15)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeySMSPEUKZAIWUJB-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine (CID 63475772) is 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1Oc1ccccc1F.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine?
The InChIKey is SMSPEUKZAIWUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-20-15-11-10-13(18(2,3)4)12-17(15)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 63475772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).