9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine

C15H14BrNO — CID 54911039

IUPAC9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESBrc1c2c(cc3ccccc13)C(NC1CC1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2
InChIKeyPGTIZCFHMBLYPZ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.79
Rot. Bonds2

About 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine

9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine (PubChem CID 54911039) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine.

Molecular Properties

Compound Name9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
PubChem CID54911039
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESBrc1c2c(cc3ccccc13)C(NC1CC1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2
InChIKeyPGTIZCFHMBLYPZ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine
CID 135331275
N-{2-[(1-bromo-2-naphthyl)oxy]ethyl}cyclopentanamine oxalate
CID 2199869
(5-Bromo-6-methoxy-naphthalen-2-ylmethyl)-methyl-amine
CID 18505315
N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine
CID 59494231
2-[1-Bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile
CID 69137550
2-[6-[(Benzylamino)methyl]-1-bromonaphthalen-2-yl]oxyacetonitrile
CID 69138583
2-[1-Bromo-6-(butylaminomethyl)naphthalen-2-yl]oxyacetonitrile
CID 69138616
N-benzyl-1-(5-bromo-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethanamine
CID 91062517
N-[(7-bromo-4-propyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propan-1-amine
CID 126583192
9-Bromo-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 132169163
ethane;N-methyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 172391698
N-methyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 172391699

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The IUPAC name of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine (CID 54911039) is 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine.
What is the SMILES notation for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The canonical SMILES for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine is Brc1c2c(cc3ccccc13)C(NC1CC1)CO2.
What is the InChIKey of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The InChIKey is PGTIZCFHMBLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2.
What are the key properties of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine has a molecular weight of 304.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine is sourced from PubChem (CID 54911039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).