N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine

C24H32BrNO2 — CID 66532208

IUPACN-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(CNC2CCCCCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C24H32BrNO2/c1-2-27-23-15-20(17-26-21-13-9-4-3-5-10-14-21)22(25)16-24(23)28-18-19-11-7-6-8-12-19/h6-8,11-12,15-16,21,26H,2-5,9-10,13-14,17-18H2,1H3
InChIKeyPBUMMKKVRZQYGH-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.63
Rot. Bonds8

About N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine

N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine (PubChem CID 66532208) has the molecular formula C24H32BrNO2 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
PubChem CID66532208
Molecular FormulaC24H32BrNO2
Molecular Weight446.43 g/mol
Exact Mass445.16
IUPAC NameN-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(CNC2CCCCCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C24H32BrNO2/c1-2-27-23-15-20(17-26-21-13-9-4-3-5-10-14-21)22(25)16-24(23)28-18-19-11-7-6-8-12-19/h6-8,11-12,15-16,21,26H,2-5,9-10,13-14,17-18H2,1H3
InChIKeyPBUMMKKVRZQYGH-UHFFFAOYSA-N
XLogP6.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66532982
N-[[2-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66533442
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 66532864
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cycloheptanamine
CID 66533535
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66532962
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 66534993
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
4-bromo-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542085

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine (CID 66532208) is N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine is CCOc1cc(CNC2CCCCCCC2)c(Br)cc1OCc1ccccc1.
What is the InChIKey of N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine?
The InChIKey is PBUMMKKVRZQYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO2/c1-2-27-23-15-20(17-26-21-13-9-4-3-5-10-14-21)22(25)16-24(23)28-18-19-11-7-6-8-12-19/h6-8,11-12,15-16,21,26H,2-5,9-10,13-14,17-18H2,1H3.
What are the key properties of N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine?
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine has a molecular weight of 446.43 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 66532208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).