N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine

C16H24FNO2 — CID 104611176

IUPACN-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)C1(OC)CCCC1
InChIInChI=1S/C16H24FNO2/c1-4-18-15(16(20-3)9-5-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyCXRWFKADLOOXIP-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.44
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine

N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine (PubChem CID 104611176) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
PubChem CID104611176
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)C1(OC)CCCC1
InChIInChI=1S/C16H24FNO2/c1-4-18-15(16(20-3)9-5-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyCXRWFKADLOOXIP-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714651
[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276084
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 82771870
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
[(1-methoxycyclopentyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105268692
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
[(5-fluoro-2-methoxyphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253466

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine (CID 104611176) is N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine is CCNC(c1cc(F)ccc1OC)C1(OC)CCCC1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The InChIKey is CXRWFKADLOOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18-15(16(20-3)9-5-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 104611176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).