5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C12H14BrF2NO — CID 107100720

IUPAC5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2c(F)c(F)cc(Br)c21
InChIInChI=1S/C12H14BrF2NO/c1-6(2)16-9-3-4-17-12-10(9)7(13)5-8(14)11(12)15/h5-6,9,16H,3-4H2,1-2H3
InChIKeyPYFUJQWLBMWCIU-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.55
Rot. Bonds2

About 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107100720) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID107100720
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2c(F)c(F)cc(Br)c21
InChIInChI=1S/C12H14BrF2NO/c1-6(2)16-9-3-4-17-12-10(9)7(13)5-8(14)11(12)15/h5-6,9,16H,3-4H2,1-2H3
InChIKeyPYFUJQWLBMWCIU-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-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

4-bromo-6,7-difluoro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107100730
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 107102402
(5R)-6-bromo-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107100721
5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79415813
6-bromo-9-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107285280
8-bromo-7-fluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234979
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
(4S)-8-bromo-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252127
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
9-bromo-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512414
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 107100720) is 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)NC1CCOc2c(F)c(F)cc(Br)c21.
What is the InChIKey of 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PYFUJQWLBMWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-6(2)16-9-3-4-17-12-10(9)7(13)5-8(14)11(12)15/h5-6,9,16H,3-4H2,1-2H3.
What are the key properties of 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 306.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107100720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).