1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine

C28H31BrCl2N2O2 — CID 17159125

IUPAC1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H31BrCl2N2O2/c1-2-34-27-15-21(14-25(29)28(27)35-19-22-8-9-23(30)16-26(22)31)17-32-24-10-12-33(13-11-24)18-20-6-4-3-5-7-20/h3-9,14-16,24,32H,2,10-13,17-19H2,1H3
InChIKeyFDVHDEZPNYTUTC-UHFFFAOYSA-N
MW578.38 g/mol
LogP7.49
Rot. Bonds10

About 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine

1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine (PubChem CID 17159125) has the molecular formula C28H31BrCl2N2O2 and a molecular weight of 578.38 g/mol. Its IUPAC name is 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine
PubChem CID17159125
Molecular FormulaC28H31BrCl2N2O2
Molecular Weight578.38 g/mol
Exact Mass576.09
IUPAC Name1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H31BrCl2N2O2/c1-2-34-27-15-21(14-25(29)28(27)35-19-22-8-9-23(30)16-26(22)31)17-32-24-10-12-33(13-11-24)18-20-6-4-3-5-7-20/h3-9,14-16,24,32H,2,10-13,17-19H2,1H3
InChIKeyFDVHDEZPNYTUTC-UHFFFAOYSA-N
XLogP7.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.38
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159045
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721362
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331547
1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159053
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 4715582
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140
1-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-methylmethanamine;hydrochloride
CID 17290699
1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159061
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 17155585
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethanol
CID 2200479
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine (CID 17159125) is 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine is CCOc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine?
The InChIKey is FDVHDEZPNYTUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31BrCl2N2O2/c1-2-34-27-15-21(14-25(29)28(27)35-19-22-8-9-23(30)16-26(22)31)17-32-24-10-12-33(13-11-24)18-20-6-4-3-5-7-20/h3-9,14-16,24,32H,2,10-13,17-19H2,1H3.
What are the key properties of 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine?
1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine has a molecular weight of 578.38 g/mol, XLogP of 7.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 17159125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).