1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine

C16H24FNO — CID 107457623

IUPAC1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c1-18-10-14-7-8-16(17)15(9-14)12-19-11-13-5-3-2-4-6-13/h7-9,13,18H,2-6,10-12H2,1H3
InChIKeyZCBWJZRTUOGLSP-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.64
Rot. Bonds6

About 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107457623) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID107457623
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c1-18-10-14-7-8-16(17)15(9-14)12-19-11-13-5-3-2-4-6-13/h7-9,13,18H,2-6,10-12H2,1H3
InChIKeyZCBWJZRTUOGLSP-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
1-[5-(cycloheptylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 114248858
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
CID 102773481
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine (CID 107457623) is 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(COCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is ZCBWJZRTUOGLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18-10-14-7-8-16(17)15(9-14)12-19-11-13-5-3-2-4-6-13/h7-9,13,18H,2-6,10-12H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107457623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).