(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

C17H17N3O — CID 10826537

IUPAC(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccccc1[C@H]1CCc2ccccc2[C@H]1N=[N+]=[N-]
InChIInChI=1S/C17H17N3O/c1-21-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)19-20-18/h2-9,15,17H,10-11H2,1H3/t15-,17-/m1/s1
InChIKeyCRLOGNJRAVDUSC-NVXWUHKLSA-N
MW279.34 g/mol
LogP4.78
Rot. Bonds3

About (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 10826537) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID10826537
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccccc1[C@H]1CCc2ccccc2[C@H]1N=[N+]=[N-]
InChIInChI=1S/C17H17N3O/c1-21-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)19-20-18/h2-9,15,17H,10-11H2,1H3/t15-,17-/m1/s1
InChIKeyCRLOGNJRAVDUSC-NVXWUHKLSA-N
XLogP4.78
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491
(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215
[(5R,6S)-5-azido-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] acetate
CID 10988552
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 132528570
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 86890661
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 14437044
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
CID 91360016
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 10826537) is (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is COc1ccccc1[C@H]1CCc2ccccc2[C@H]1N=[N+]=[N-].
What is the InChIKey of (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CRLOGNJRAVDUSC-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)19-20-18/h2-9,15,17H,10-11H2,1H3/t15-,17-/m1/s1.
What are the key properties of (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 279.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 10826537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).