N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine

C20H24BrNO2 — CID 1288301

IUPACN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3
InChIKeyBFKAICFFJPFIJW-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.07
Rot. Bonds7

About N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine

N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine (PubChem CID 1288301) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
PubChem CID1288301
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3
InChIKeyBFKAICFFJPFIJW-UHFFFAOYSA-N
XLogP5.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine (CID 1288301) is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine is COc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine?
The InChIKey is BFKAICFFJPFIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3.
What are the key properties of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine?
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine has a molecular weight of 390.32 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 1288301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).