6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine

C22H26BrNO2 — CID 22446482

IUPAC6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine
SMILESCNCCCCCCOc1ccc2c(c1)OCC=C2c1ccc(Br)cc1
InChIInChI=1S/C22H26BrNO2/c1-24-13-4-2-3-5-14-25-19-10-11-21-20(12-15-26-22(21)16-19)17-6-8-18(23)9-7-17/h6-12,16,24H,2-5,13-15H2,1H3
InChIKeyLPFOTBWFXQZDCS-UHFFFAOYSA-N
MW416.36 g/mol
LogP5.43
Rot. Bonds9

About 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine

6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine (PubChem CID 22446482) has the molecular formula C22H26BrNO2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine
PubChem CID22446482
Molecular FormulaC22H26BrNO2
Molecular Weight416.36 g/mol
Exact Mass415.11
IUPAC Name6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine
SMILESCNCCCCCCOc1ccc2c(c1)OCC=C2c1ccc(Br)cc1
InChIInChI=1S/C22H26BrNO2/c1-24-13-4-2-3-5-14-25-19-10-11-21-20(12-15-26-22(21)16-19)17-6-8-18(23)9-7-17/h6-12,16,24H,2-5,13-15H2,1H3
InChIKeyLPFOTBWFXQZDCS-UHFFFAOYSA-N
XLogP5.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
CID 91401843
4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
CID 170728358
6-[4-(6-bromo-1,1-dioxo-1,2-benzothiazol-3-yl)phenoxy]-N-methylhexan-1-amine
CID 22446485
6-[4-[(S)-(4-bromophenyl)-(methylamino)methyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741073
6-[4-[2-(4-bromophenyl)ethyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741074
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
6-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138734236
2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine
CID 54204930
N-(4-bromophenyl)-4-(2,4-dibutoxyphenyl)-N-[4-(2,4-dibutoxyphenyl)phenyl]aniline
CID 162394350

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine?
The IUPAC name of 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine (CID 22446482) is 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine.
What is the SMILES notation for 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine?
The canonical SMILES for 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine is CNCCCCCCOc1ccc2c(c1)OCC=C2c1ccc(Br)cc1.
What is the InChIKey of 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine?
The InChIKey is LPFOTBWFXQZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrNO2/c1-24-13-4-2-3-5-14-25-19-10-11-21-20(12-15-26-22(21)16-19)17-6-8-18(23)9-7-17/h6-12,16,24H,2-5,13-15H2,1H3.
What are the key properties of 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine?
6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine has a molecular weight of 416.36 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-bromophenyl)-2H-chromen-7-yl]oxy]-N-methylhexan-1-amine is sourced from PubChem (CID 22446482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).