6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21BrN2 — CID 82731848

IUPAC6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCc1cccnc1CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H21BrN2/c1-2-13-4-3-9-20-18(13)12-21-17-8-6-14-10-16(19)7-5-15(14)11-17/h3-5,7,9-10,17,21H,2,6,8,11-12H2,1H3
InChIKeyZZGKJDMQFFRCDZ-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.05
Rot. Bonds4

About 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 82731848) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID82731848
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCc1cccnc1CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H21BrN2/c1-2-13-4-3-9-20-18(13)12-21-17-8-6-14-10-16(19)7-5-15(14)11-17/h3-5,7,9-10,17,21H,2,6,8,11-12H2,1H3
InChIKeyZZGKJDMQFFRCDZ-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 82731848) is 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CCc1cccnc1CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZZGKJDMQFFRCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-2-13-4-3-9-20-18(13)12-21-17-8-6-14-10-16(19)7-5-15(14)11-17/h3-5,7,9-10,17,21H,2,6,8,11-12H2,1H3.
What are the key properties of 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 345.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 82731848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).