N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine

C16H23BrFNO — CID 103394756

IUPACN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(F)cc1OC)C1(C)CCCC1
InChIInChI=1S/C16H23BrFNO/c1-4-19-15(16(2)7-5-6-8-16)11-9-12(17)13(18)10-14(11)20-3/h9-10,15,19H,4-8H2,1-3H3
InChIKeyGNEIRMHISLIGEA-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.83
Rot. Bonds5

About N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine

N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 103394756) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID103394756
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC NameN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(F)cc1OC)C1(C)CCCC1
InChIInChI=1S/C16H23BrFNO/c1-4-19-15(16(2)7-5-6-8-16)11-9-12(17)13(18)10-14(11)20-3/h9-10,15,19H,4-8H2,1-3H3
InChIKeyGNEIRMHISLIGEA-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396453
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 103396133
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 103394722
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557900
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine (CID 103394756) is N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(Br)c(F)cc1OC)C1(C)CCCC1.
What is the InChIKey of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is GNEIRMHISLIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-4-19-15(16(2)7-5-6-8-16)11-9-12(17)13(18)10-14(11)20-3/h9-10,15,19H,4-8H2,1-3H3.
What are the key properties of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine?
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 344.27 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 103394756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).