(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

C16H15BrFNO — CID 61027221

IUPAC(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1ccc(F)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-14-9-12(18)4-5-13(14)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7,19H2
InChIKeyNPMHDAACUAXBND-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.96
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 61027221) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID61027221
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1ccc(F)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-14-9-12(18)4-5-13(14)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7,19H2
InChIKeyNPMHDAACUAXBND-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026459
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 62199757
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434838
1-(2-bromo-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864580
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097885
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 61027221) is (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is NC(c1ccc2c(c1)CCCO2)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is NPMHDAACUAXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-9-12(18)4-5-13(14)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7,19H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 336.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 61027221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).