N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine

C27H32BrCl2NO2 — CID 66536745

IUPACN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
SMILESCOc1ccc(Br)c(CNC23CC4CC(C)(CC(C)(C4)C2)C3)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C27H32BrCl2NO2/c1-25-9-17-10-26(2,14-25)16-27(11-17,15-25)31-12-18-20(28)7-8-23(32-3)24(18)33-13-19-21(29)5-4-6-22(19)30/h4-8,17,31H,9-16H2,1-3H3
InChIKeyMAGIYBQMQHWHGV-UHFFFAOYSA-N
MW553.37 g/mol
LogP8.18
Rot. Bonds7

About N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine

N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine (PubChem CID 66536745) has the molecular formula C27H32BrCl2NO2 and a molecular weight of 553.37 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
PubChem CID66536745
Molecular FormulaC27H32BrCl2NO2
Molecular Weight553.37 g/mol
Exact Mass551.10
IUPAC NameN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
SMILESCOc1ccc(Br)c(CNC23CC4CC(C)(CC(C)(C4)C2)C3)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C27H32BrCl2NO2/c1-25-9-17-10-26(2,14-25)16-27(11-17,15-25)31-12-18-20(28)7-8-23(32-3)24(18)33-13-19-21(29)5-4-6-22(19)30/h4-8,17,31H,9-16H2,1-3H3
InChIKeyMAGIYBQMQHWHGV-UHFFFAOYSA-N
XLogP8.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.37
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66536600
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66536735
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66535295
(3S,5R)-N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 27233947
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66530001
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66536604
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66535840
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]adamantan-1-amine
CID 66537167
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536614
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66535290

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine (CID 66536745) is N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine is COc1ccc(Br)c(CNC23CC4CC(C)(CC(C)(C4)C2)C3)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine?
The InChIKey is MAGIYBQMQHWHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32BrCl2NO2/c1-25-9-17-10-26(2,14-25)16-27(11-17,15-25)31-12-18-20(28)7-8-23(32-3)24(18)33-13-19-21(29)5-4-6-22(19)30/h4-8,17,31H,9-16H2,1-3H3.
What are the key properties of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine?
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine has a molecular weight of 553.37 g/mol, XLogP of 8.18, 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-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 66536745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).