2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine

C17H26FN — CID 63401168

IUPAC2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FN/c1-3-4-13-7-10-17(19-2)15(11-13)12-14-5-8-16(18)9-6-14/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3
InChIKeyZRVONZAXRDRLIJ-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.17
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine

2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 63401168) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
PubChem CID63401168
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FN/c1-3-4-13-7-10-17(19-2)15(11-13)12-14-5-8-16(18)9-6-14/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3
InChIKeyZRVONZAXRDRLIJ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128172
2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403813
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63403844
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
1-[(2-chloro-5-propylcyclohexyl)methyl]-4-iodobenzene
CID 65476334
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine (CID 63401168) is 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is ZRVONZAXRDRLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-4-13-7-10-17(19-2)15(11-13)12-14-5-8-16(18)9-6-14/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63401168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).