1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine

C14H27F2NO — CID 114224938

IUPAC1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine
SMILESCCOC(CC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C14H27F2NO/c1-4-13(18-5-2)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-13,17H,4-10H2,1-3H3
InChIKeyASMXPDQZUZRAQD-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds7

About 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine

1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine (PubChem CID 114224938) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine
PubChem CID114224938
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine
SMILESCCOC(CC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C14H27F2NO/c1-4-13(18-5-2)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-13,17H,4-10H2,1-3H3
InChIKeyASMXPDQZUZRAQD-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine (CID 114224938) is 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine is CCOC(CC)C(CC1CCCC(F)(F)C1)NC.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine?
The InChIKey is ASMXPDQZUZRAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-13(18-5-2)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine?
1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine is sourced from PubChem (CID 114224938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).