2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C13H16BrNO — CID 102647143

IUPAC2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(Cc1cccc(Br)c1)C1=CCCCO1
InChIInChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-12(15)13-6-1-2-7-16-13/h3-6,8,12H,1-2,7,9,15H2
InChIKeyDCPSVTIPSYTURN-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.01
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647143) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102647143
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(Cc1cccc(Br)c1)C1=CCCCO1
InChIInChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-12(15)13-6-1-2-7-16-13/h3-6,8,12H,1-2,7,9,15H2
InChIKeyDCPSVTIPSYTURN-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651201
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyridin-2-ylethanamine
CID 102647133
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
7-[1-bromo-2-(3-bromophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437541
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 82307455

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647143) is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(Cc1cccc(Br)c1)C1=CCCCO1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is DCPSVTIPSYTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-12(15)13-6-1-2-7-16-13/h3-6,8,12H,1-2,7,9,15H2.
What are the key properties of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 282.18 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102647143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).