5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine

C16H17BrN2O — CID 115147138

IUPAC5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine
SMILESCc1cc(NCc2ccc3c(c2)CCCO3)ncc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-7-16(19-10-14(11)17)18-9-12-4-5-15-13(8-12)3-2-6-20-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyABTZPBTXHDJBIU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.09
Rot. Bonds3

About 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine

5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine (PubChem CID 115147138) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine
PubChem CID115147138
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine
SMILESCc1cc(NCc2ccc3c(c2)CCCO3)ncc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-7-16(19-10-14(11)17)18-9-12-4-5-15-13(8-12)3-2-6-20-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyABTZPBTXHDJBIU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
5-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridin-3-amine
CID 103930553
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
CID 43804425
4-bromo-2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43804435
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954973
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine (CID 115147138) is 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine is Cc1cc(NCc2ccc3c(c2)CCCO3)ncc1Br.
What is the InChIKey of 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine?
The InChIKey is ABTZPBTXHDJBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-16(19-10-14(11)17)18-9-12-4-5-15-13(8-12)3-2-6-20-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine?
5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine has a molecular weight of 333.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 115147138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).