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

C10H12BrNO — CID 105422199

IUPAC(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNCC1CCOc2cccc(Br)c21
InChIInChI=1S/C10H12BrNO/c11-8-2-1-3-9-10(8)7(6-12)4-5-13-9/h1-3,7H,4-6,12H2
InChIKeyXKUITYMQLZJPJN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.27
Rot. Bonds1

About (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine

(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 105422199) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID105422199
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNCC1CCOc2cccc(Br)c21
InChIInChI=1S/C10H12BrNO/c11-8-2-1-3-9-10(8)7(6-12)4-5-13-9/h1-3,7H,4-6,12H2
InChIKeyXKUITYMQLZJPJN-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 105465700
(3aR,10bS)-10-bromo-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67168389
(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245482
[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 118597841
2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
CID 19840598
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
CID 104769674
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine (CID 105422199) is (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine is NCC1CCOc2cccc(Br)c21.
What is the InChIKey of (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is XKUITYMQLZJPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-2-1-3-9-10(8)7(6-12)4-5-13-9/h1-3,7H,4-6,12H2.
What are the key properties of (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine?
(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 242.12 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 105422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).