6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C14H20BrNO — CID 63625160

IUPAC6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-17-8-2-7-16-14-6-4-11-9-13(15)5-3-12(11)10-14/h3,5,9,14,16H,2,4,6-8,10H2,1H3
InChIKeyHEFVAOJTZROCAQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.93
Rot. Bonds5

About 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625160) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625160
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-17-8-2-7-16-14-6-4-11-9-13(15)5-3-12(11)10-14/h3,5,9,14,16H,2,4,6-8,10H2,1H3
InChIKeyHEFVAOJTZROCAQ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625160) is 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COCCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HEFVAOJTZROCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-8-2-7-16-14-6-4-11-9-13(15)5-3-12(11)10-14/h3,5,9,14,16H,2,4,6-8,10H2,1H3.
What are the key properties of 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 298.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).