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

C14H20BrNO — CID 55250190

IUPAC6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-2-17-8-7-16-14-6-4-11-9-13(15)5-3-12(11)10-14/h3,5,9,14,16H,2,4,6-8,10H2,1H3
InChIKeyMXIBZCQLVFSRFM-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.93
Rot. Bonds5

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

6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55250190) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55250190
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-2-17-8-7-16-14-6-4-11-9-13(15)5-3-12(11)10-14/h3,5,9,14,16H,2,4,6-8,10H2,1H3
InChIKeyMXIBZCQLVFSRFM-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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Related Compounds

(7-Bromo-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 17932068
5-bromo-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 44209559
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CID 137943731
N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846517
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propan-1-ol
CID 97224907
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626726
4-(6-Bromo-5-fluoro-tetralin-2-yl)morpholine
CID 90414598
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 59956160
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 10015840
N-[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 71663710
6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625362
6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627073

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55250190) is 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCOCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MXIBZCQLVFSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-17-8-7-16-14-6-4-11-9-13(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-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-ethoxyethyl)-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-(2-ethoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55250190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).