1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine

C17H26FN — CID 81029449

IUPAC1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccccc2F)C1
InChIInChI=1S/C17H26FN/c1-3-6-13-9-10-14(12-19-2)16(11-13)15-7-4-5-8-17(15)18/h4-5,7-8,13-14,16,19H,3,6,9-12H2,1-2H3
InChIKeyGSVQVWZUJQDXOA-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine

1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 81029449) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID81029449
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccccc2F)C1
InChIInChI=1S/C17H26FN/c1-3-6-13-9-10-14(12-19-2)16(11-13)15-7-4-5-8-17(15)18/h4-5,7-8,13-14,16,19H,3,6,9-12H2,1-2H3
InChIKeyGSVQVWZUJQDXOA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996
N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454111
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine (CID 81029449) is 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(c2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is GSVQVWZUJQDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-6-13-9-10-14(12-19-2)16(11-13)15-7-4-5-8-17(15)18/h4-5,7-8,13-14,16,19H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).