(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C20H23F2NO2 — CID 39973149

IUPAC(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(CN(C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO2/c1-23(17-9-5-7-15-6-3-4-8-16(15)17)13-14-10-11-18(25-20(21)22)19(12-14)24-2/h3-4,6,8,10-12,17,20H,5,7,9,13H2,1-2H3/t17-/m1/s1
InChIKeyTVLSPUUKQVLXNZ-QGZVFWFLSA-N
MW347.41 g/mol
LogP4.81
Rot. Bonds6

About (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 39973149) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID39973149
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(CN(C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO2/c1-23(17-9-5-7-15-6-3-4-8-16(15)17)13-14-10-11-18(25-20(21)22)19(12-14)24-2/h3-4,6,8,10-12,17,20H,5,7,9,13H2,1-2H3/t17-/m1/s1
InChIKeyTVLSPUUKQVLXNZ-QGZVFWFLSA-N
XLogP4.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
1-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-3-methylbenzimidazole-2-thione
CID 27082496
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
CID 94182088
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 39973149) is (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(CN(C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F.
What is the InChIKey of (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is TVLSPUUKQVLXNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-23(17-9-5-7-15-6-3-4-8-16(15)17)13-14-10-11-18(25-20(21)22)19(12-14)24-2/h3-4,6,8,10-12,17,20H,5,7,9,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 347.41 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 39973149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).