N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine

C21H19BrCl2N2O2 — CID 66536614

IUPACN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(Br)c(CNCc2ccccn2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C21H19BrCl2N2O2/c1-27-20-9-8-17(22)15(12-25-11-14-5-2-3-10-26-14)21(20)28-13-16-18(23)6-4-7-19(16)24/h2-10,25H,11-13H2,1H3
InChIKeySUGHISHMOPQACO-UHFFFAOYSA-N
MW482.21 g/mol
LogP6.03
Rot. Bonds8

About N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine

N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 66536614) has the molecular formula C21H19BrCl2N2O2 and a molecular weight of 482.21 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID66536614
Molecular FormulaC21H19BrCl2N2O2
Molecular Weight482.21 g/mol
Exact Mass480.00
IUPAC NameN-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(Br)c(CNCc2ccccn2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C21H19BrCl2N2O2/c1-27-20-9-8-17(22)15(12-25-11-14-5-2-3-10-26-14)21(20)28-13-16-18(23)6-4-7-19(16)24/h2-10,25H,11-13H2,1H3
InChIKeySUGHISHMOPQACO-UHFFFAOYSA-N
XLogP6.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.21
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536664
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536383
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66536604
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538452
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535984
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66536735
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536552
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537190
1-(2-chloro-3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 63625676

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine (CID 66536614) is N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine is COc1ccc(Br)c(CNCc2ccccn2)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is SUGHISHMOPQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrCl2N2O2/c1-27-20-9-8-17(22)15(12-25-11-14-5-2-3-10-26-14)21(20)28-13-16-18(23)6-4-7-19(16)24/h2-10,25H,11-13H2,1H3.
What are the key properties of N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine?
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 482.21 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 66536614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).