N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine

C25H29BrFNO2 — CID 66535840

IUPACN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
SMILESCOc1ccc(Br)c(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F
InChIInChI=1S/C25H29BrFNO2/c1-29-23-7-6-21(26)20(24(23)30-15-19-4-2-3-5-22(19)27)14-28-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18,28H,8-15H2,1H3
InChIKeySLGILSXQKNPRAE-UHFFFAOYSA-N
MW474.41 g/mol
LogP6.23
Rot. Bonds7

About N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine

N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine (PubChem CID 66535840) has the molecular formula C25H29BrFNO2 and a molecular weight of 474.41 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
PubChem CID66535840
Molecular FormulaC25H29BrFNO2
Molecular Weight474.41 g/mol
Exact Mass473.14
IUPAC NameN-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
SMILESCOc1ccc(Br)c(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F
InChIInChI=1S/C25H29BrFNO2/c1-29-23-7-6-21(26)20(24(23)30-15-19-4-2-3-5-22(19)27)14-28-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18,28H,8-15H2,1H3
InChIKeySLGILSXQKNPRAE-UHFFFAOYSA-N
XLogP6.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine with MolForge

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Related Compounds

N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66536735
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]adamantan-1-amine
CID 66537167
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66536600
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536383
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 66536432
4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536445
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721792
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 66544389
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543876
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 4721676
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 66538604
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66536745

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine?
The IUPAC name of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine (CID 66535840) is N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine is COc1ccc(Br)c(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F.
What is the InChIKey of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine?
The InChIKey is SLGILSXQKNPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrFNO2/c1-29-23-7-6-21(26)20(24(23)30-15-19-4-2-3-5-22(19)27)14-28-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18,28H,8-15H2,1H3.
What are the key properties of N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine?
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine has a molecular weight of 474.41 g/mol, XLogP of 6.23, 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-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine is sourced from PubChem (CID 66535840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).