N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine

C16H24FNO — CID 107687057

IUPACN-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCCCC2)c(F)c1
InChIInChI=1S/C16H24FNO/c1-2-18-12-13-9-10-16(15(17)11-13)19-14-7-5-3-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3
InChIKeyJNZNEOAEGIIDKP-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine

N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine (PubChem CID 107687057) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
PubChem CID107687057
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCCCC2)c(F)c1
InChIInChI=1S/C16H24FNO/c1-2-18-12-13-9-10-16(15(17)11-13)19-14-7-5-3-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3
InChIKeyJNZNEOAEGIIDKP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 107689221
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521

Frequently Asked Questions

What is the IUPAC name of N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine (CID 107687057) is N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine is CCNCc1ccc(OC2CCCCCC2)c(F)c1.
What is the InChIKey of N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine?
The InChIKey is JNZNEOAEGIIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-18-12-13-9-10-16(15(17)11-13)19-14-7-5-3-4-6-8-14/h9-11,14,18H,2-8,12H2,1H3.
What are the key properties of N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine?
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 107687057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).