N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine

C16H24FNO — CID 104794650

IUPACN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(OC)c2F)CCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-12-16(9-4-5-10-16)11-13-7-6-8-14(19-2)15(13)17/h6-8,18H,3-5,9-12H2,1-2H3
InChIKeyFRTJEYHSIALCLN-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.55
Rot. Bonds6

About N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 104794650) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID104794650
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(OC)c2F)CCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-12-16(9-4-5-10-16)11-13-7-6-8-14(19-2)15(13)17/h6-8,18H,3-5,9-12H2,1-2H3
InChIKeyFRTJEYHSIALCLN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
CID 62259078
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine (CID 104794650) is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1(Cc2cccc(OC)c2F)CCCC1.
What is the InChIKey of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is FRTJEYHSIALCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-12-16(9-4-5-10-16)11-13-7-6-8-14(19-2)15(13)17/h6-8,18H,3-5,9-12H2,1-2H3.
What are the key properties of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 104794650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).