1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

C14H27F2NO — CID 105184995

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(C(C)CCOC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17-13(11(2)7-10-18-3)12-5-8-14(15,16)9-6-12/h11-13,17H,4-10H2,1-3H3
InChIKeyZLPVHUBXMPZNEJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 105184995) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID105184995
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(C(C)CCOC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17-13(11(2)7-10-18-3)12-5-8-14(15,16)9-6-12/h11-13,17H,4-10H2,1-3H3
InChIKeyZLPVHUBXMPZNEJ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 105184995) is 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is CCNC(C(C)CCOC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is ZLPVHUBXMPZNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-17-13(11(2)7-10-18-3)12-5-8-14(15,16)9-6-12/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).