3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine

C15H15BrN2O — CID 104813035

IUPAC3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2cncc(Br)c2)COc2ccccc2C1
InChIInChI=1S/C15H15BrN2O/c16-13-5-11(8-18-9-13)6-15(17)7-12-3-1-2-4-14(12)19-10-15/h1-5,8-9H,6-7,10,17H2
InChIKeyBBMBBUNFUKVXNV-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.72
Rot. Bonds2

About 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine

3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine (PubChem CID 104813035) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine
PubChem CID104813035
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2cncc(Br)c2)COc2ccccc2C1
InChIInChI=1S/C15H15BrN2O/c16-13-5-11(8-18-9-13)6-15(17)7-12-3-1-2-4-14(12)19-10-15/h1-5,8-9H,6-7,10,17H2
InChIKeyBBMBBUNFUKVXNV-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-2,4-dihydrochromen-3-amine
CID 65422673
3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine
CID 105410678
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
2-(5-bromo-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 104799040
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine
CID 106459398
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104802710
[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine
CID 83183019
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
CID 122164502

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine (CID 104813035) is 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine is NC1(Cc2cncc(Br)c2)COc2ccccc2C1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine?
The InChIKey is BBMBBUNFUKVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-5-11(8-18-9-13)6-15(17)7-12-3-1-2-4-14(12)19-10-15/h1-5,8-9H,6-7,10,17H2.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine?
3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine has a molecular weight of 319.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methyl]-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 104813035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).