2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine

C17H26FNO — CID 116771626

IUPAC2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(c1cc(C)cc(F)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-12-9-14(11-15(18)10-12)16(19-2)17(20-3)13-7-5-4-6-8-13/h9-11,13,16-17,19H,4-8H2,1-3H3
InChIKeyNKQZNOKDRWLTLF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.99
Rot. Bonds5

About 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine

2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine (PubChem CID 116771626) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
PubChem CID116771626
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(c1cc(C)cc(F)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-12-9-14(11-15(18)10-12)16(19-2)17(20-3)13-7-5-4-6-8-13/h9-11,13,16-17,19H,4-8H2,1-3H3
InChIKeyNKQZNOKDRWLTLF-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-methoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 116771590
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771600
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771486
2-cyclohexyl-2-methoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116771562
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771448
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine (CID 116771626) is 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine is CNC(c1cc(C)cc(F)c1)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine?
The InChIKey is NKQZNOKDRWLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-9-14(11-15(18)10-12)16(19-2)17(20-3)13-7-5-4-6-8-13/h9-11,13,16-17,19H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine?
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 116771626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).