(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride

C22H26Cl3FN2O — CID 154909138

IUPAC(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cl)c1COc1ccccc1CN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C22H24ClFN2O.2ClH/c23-18-5-3-6-19(24)17(18)13-27-22-7-2-1-4-14(22)12-26-20-8-9-21(26)16-11-25-10-15(16)20;;/h1-7,15-16,20-21,25H,8-13H2;2*1H/t15-,16+,20-,21+;;
InChIKeySDXJMFSEGITPGH-CDHQJFQDSA-N
MW459.82 g/mol
LogP5.08
Rot. Bonds5

About (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride

(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride (PubChem CID 154909138) has the molecular formula C22H26Cl3FN2O and a molecular weight of 459.82 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride
PubChem CID154909138
Molecular FormulaC22H26Cl3FN2O
Molecular Weight459.82 g/mol
Exact Mass458.11
IUPAC Name(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cl)c1COc1ccccc1CN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C22H24ClFN2O.2ClH/c23-18-5-3-6-19(24)17(18)13-27-22-7-2-1-4-14(22)12-26-20-8-9-21(26)16-11-25-10-15(16)20;;/h1-7,15-16,20-21,25H,8-13H2;2*1H/t15-,16+,20-,21+;;
InChIKeySDXJMFSEGITPGH-CDHQJFQDSA-N
XLogP5.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride 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

3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 131950566
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859
(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
CID 124564123
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 60723029
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
CID 155217935
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
2-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528448

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride?
The IUPAC name of (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride (CID 154909138) is (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride.
What is the SMILES notation for (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride?
The canonical SMILES for (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride is Cl.Cl.Fc1cccc(Cl)c1COc1ccccc1CN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.
What is the InChIKey of (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride?
The InChIKey is SDXJMFSEGITPGH-CDHQJFQDSA-N. The full InChI is InChI=1S/C22H24ClFN2O.2ClH/c23-18-5-3-6-19(24)17(18)13-27-22-7-2-1-4-14(22)12-26-20-8-9-21(26)16-11-25-10-15(16)20;;/h1-7,15-16,20-21,25H,8-13H2;2*1H/t15-,16+,20-,21+;;.
What are the key properties of (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride?
(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride has a molecular weight of 459.82 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride is sourced from PubChem (CID 154909138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).