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

C17H19BrN2O — CID 63627459

IUPAC6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ncccc1CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H19BrN2O/c1-21-17-14(3-2-8-19-17)11-20-16-7-5-12-9-15(18)6-4-13(12)10-16/h2-4,6,8-9,16,20H,5,7,10-11H2,1H3
InChIKeyRAAGRWCROTVLLV-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.50
Rot. Bonds4

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

6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627459) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627459
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ncccc1CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H19BrN2O/c1-21-17-14(3-2-8-19-17)11-20-16-7-5-12-9-15(18)6-4-13(12)10-16/h2-4,6,8-9,16,20H,5,7,10-11H2,1H3
InChIKeyRAAGRWCROTVLLV-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82731848
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627799
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905323
N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 60857681
[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
CID 103781783
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
6-bromo-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627115
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627459) is 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ncccc1CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RAAGRWCROTVLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-21-17-14(3-2-8-19-17)11-20-16-7-5-12-9-15(18)6-4-13(12)10-16/h2-4,6,8-9,16,20H,5,7,10-11H2,1H3.
What are the key properties of 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 347.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).