2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine

C17H25F2N — CID 64776459

IUPAC2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(F)cc(F)c2)NC)CC1
InChIInChI=1S/C17H25F2N/c1-3-12-4-6-14(7-5-12)17(20-2)10-13-8-15(18)11-16(19)9-13/h8-9,11-12,14,17,20H,3-7,10H2,1-2H3
InChIKeyGYDASPBZJJCPRQ-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.31
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine (PubChem CID 64776459) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
PubChem CID64776459
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(F)cc(F)c2)NC)CC1
InChIInChI=1S/C17H25F2N/c1-3-12-4-6-14(7-5-12)17(20-2)10-13-8-15(18)11-16(19)9-13/h8-9,11-12,14,17,20H,3-7,10H2,1-2H3
InChIKeyGYDASPBZJJCPRQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine (CID 64776459) is 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine is CCC1CCC(C(Cc2cc(F)cc(F)c2)NC)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is GYDASPBZJJCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-12-4-6-14(7-5-12)17(20-2)10-13-8-15(18)11-16(19)9-13/h8-9,11-12,14,17,20H,3-7,10H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 64776459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).