6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H17BrN2O — CID 63305839

IUPAC6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccnc1CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H17BrN2O/c1-11-3-2-7-18-15(11)10-19-14-6-8-20-16-5-4-12(17)9-13(14)16/h2-5,7,9,14,19H,6,8,10H2,1H3
InChIKeyPQMLZELSRHYIDK-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.77
Rot. Bonds3

About 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63305839) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID63305839
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccnc1CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H17BrN2O/c1-11-3-2-7-18-15(11)10-19-14-6-8-20-16-5-4-12(17)9-13(14)16/h2-5,7,9,14,19H,6,8,10H2,1H3
InChIKeyPQMLZELSRHYIDK-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895049
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
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6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60914256
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 63305839) is 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cccnc1CNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PQMLZELSRHYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-3-2-7-18-15(11)10-19-14-6-8-20-16-5-4-12(17)9-13(14)16/h2-5,7,9,14,19H,6,8,10H2,1H3.
What are the key properties of 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 333.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63305839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).