4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine

C18H29NO — CID 63474712

IUPAC4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccccc1
InChIInChI=1S/C18H29NO/c1-5-19-16-12-11-14(18(2,3)4)13-17(16)20-15-9-7-6-8-10-15/h6-10,14,16-17,19H,5,11-13H2,1-4H3
InChIKeyCBFPVRZXDAKZED-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.26
Rot. Bonds4

About 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine

4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine (PubChem CID 63474712) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
PubChem CID63474712
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccccc1
InChIInChI=1S/C18H29NO/c1-5-19-16-12-11-14(18(2,3)4)13-17(16)20-15-9-7-6-8-10-15/h6-10,14,16-17,19H,5,11-13H2,1-4H3
InChIKeyCBFPVRZXDAKZED-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.26
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-phenoxycyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine (CID 63474712) is 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1Oc1ccccc1.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine?
The InChIKey is CBFPVRZXDAKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-16-12-11-14(18(2,3)4)13-17(16)20-15-9-7-6-8-10-15/h6-10,14,16-17,19H,5,11-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.26, 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-phenoxycyclohexan-1-amine is sourced from PubChem (CID 63474712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).