N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

C20H23BrClNO2 — CID 66536080

IUPACN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(Br)c(CNC2CCCC2)c1OCc1ccccc1Cl
InChIInChI=1S/C20H23BrClNO2/c1-24-19-11-10-17(21)16(12-23-15-7-3-4-8-15)20(19)25-13-14-6-2-5-9-18(14)22/h2,5-6,9-11,15,23H,3-4,7-8,12-13H2,1H3
InChIKeyKWJBIAKDAVZTQF-UHFFFAOYSA-N
MW424.77 g/mol
LogP5.72
Rot. Bonds7

About N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (PubChem CID 66536080) has the molecular formula C20H23BrClNO2 and a molecular weight of 424.77 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
PubChem CID66536080
Molecular FormulaC20H23BrClNO2
Molecular Weight424.77 g/mol
Exact Mass423.06
IUPAC NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(Br)c(CNC2CCCC2)c1OCc1ccccc1Cl
InChIInChI=1S/C20H23BrClNO2/c1-24-19-11-10-17(21)16(12-23-15-7-3-4-8-15)20(19)25-13-14-6-2-5-9-18(14)22/h2,5-6,9-11,15,23H,3-4,7-8,12-13H2,1H3
InChIKeyKWJBIAKDAVZTQF-UHFFFAOYSA-N
XLogP5.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.77
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine
CID 66537056
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720191
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 66536208
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536113
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538742
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535984

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (CID 66536080) is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is COc1ccc(Br)c(CNC2CCCC2)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
The InChIKey is KWJBIAKDAVZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClNO2/c1-24-19-11-10-17(21)16(12-23-15-7-3-4-8-15)20(19)25-13-14-6-2-5-9-18(14)22/h2,5-6,9-11,15,23H,3-4,7-8,12-13H2,1H3.
What are the key properties of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine has a molecular weight of 424.77 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 66536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).