6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine

C13H18BrNO — CID 114713313

IUPAC6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1CC(NC)c2cc(Br)ccc2O1
InChIInChI=1S/C13H18BrNO/c1-3-4-10-8-12(15-2)11-7-9(14)5-6-13(11)16-10/h5-7,10,12,15H,3-4,8H2,1-2H3
InChIKeyNQUSPXZRMMVXTK-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.66
Rot. Bonds3

About 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713313) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713313
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1CC(NC)c2cc(Br)ccc2O1
InChIInChI=1S/C13H18BrNO/c1-3-4-10-8-12(15-2)11-7-9(14)5-6-13(11)16-10/h5-7,10,12,15H,3-4,8H2,1-2H3
InChIKeyNQUSPXZRMMVXTK-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
CID 114713189
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
6-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676770
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090686
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
(4R)-6-bromo-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951372
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049616
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114713313) is 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine is CCCC1CC(NC)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NQUSPXZRMMVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-4-10-8-12(15-2)11-7-9(14)5-6-13(11)16-10/h5-7,10,12,15H,3-4,8H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).