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

C18H28FN — CID 81029072

IUPAC1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(Cc2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-3-6-14-9-10-16(13-20-2)17(11-14)12-15-7-4-5-8-18(15)19/h4-5,7-8,14,16-17,20H,3,6,9-13H2,1-2H3
InChIKeyGDCOELCPWVEJPL-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.42
Rot. Bonds6

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

1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 81029072) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID81029072
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(Cc2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-3-6-14-9-10-16(13-20-2)17(11-14)12-15-7-4-5-8-18(15)19/h4-5,7-8,14,16-17,20H,3,6,9-13H2,1-2H3
InChIKeyGDCOELCPWVEJPL-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029449
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
1-[(2-bromo-5-propylcyclohexyl)methyl]-2,3-difluorobenzene
CID 55192642
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 82882340
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62610633
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine (CID 81029072) is 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(Cc2ccccc2F)C1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is GDCOELCPWVEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-6-14-9-10-16(13-20-2)17(11-14)12-15-7-4-5-8-18(15)19/h4-5,7-8,14,16-17,20H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).