(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

C14H19BrO — CID 129410305

IUPAC(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)CCC[C@@H]2CCCBr
InChIInChI=1S/C14H19BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyJXACQYORRWHNDD-LLVKDONJSA-N
MW283.21 g/mol
LogP4.29
Rot. Bonds4

About (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 129410305) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID129410305
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)CCC[C@@H]2CCCBr
InChIInChI=1S/C14H19BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyJXACQYORRWHNDD-LLVKDONJSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11603049
1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
CID 11559395
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine;hydrochloride
CID 11603048
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (CID 129410305) is (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)CCC[C@@H]2CCCBr.
What is the InChIKey of (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JXACQYORRWHNDD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 283.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 129410305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).