5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C13H19BrN2 — CID 71079504

IUPAC5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNCC1Cc2c(Br)cccc2CC1N
InChIInChI=1S/C13H19BrN2/c1-2-16-8-10-6-11-9(7-13(10)15)4-3-5-12(11)14/h3-5,10,13,16H,2,6-8,15H2,1H3
InChIKeyBQGHWVXBXHBVEE-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.10
Rot. Bonds3

About 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 71079504) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID71079504
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNCC1Cc2c(Br)cccc2CC1N
InChIInChI=1S/C13H19BrN2/c1-2-16-8-10-6-11-9(7-13(10)15)4-3-5-12(11)14/h3-5,10,13,16H,2,6-8,15H2,1H3
InChIKeyBQGHWVXBXHBVEE-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 71079504) is 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCNCC1Cc2c(Br)cccc2CC1N.
What is the InChIKey of 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BQGHWVXBXHBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-16-8-10-6-11-9(7-13(10)15)4-3-5-12(11)14/h3-5,10,13,16H,2,6-8,15H2,1H3.
What are the key properties of 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 71079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).