4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H18BrNO — CID 63091001

IUPAC4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3cccc(Br)c3)cccc21
InChIInChI=1S/C17H18BrNO/c1-19-16-9-8-15-14(16)6-3-7-17(15)20-11-12-4-2-5-13(18)10-12/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyNDXFADIUDFDQIJ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.23
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091001) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63091001
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3cccc(Br)c3)cccc21
InChIInChI=1S/C17H18BrNO/c1-19-16-9-8-15-14(16)6-3-7-17(15)20-11-12-4-2-5-13(18)10-12/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyNDXFADIUDFDQIJ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454420
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102880463
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
CID 114471642
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454409

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63091001) is 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCc3cccc(Br)c3)cccc21.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NDXFADIUDFDQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19-16-9-8-15-14(16)6-3-7-17(15)20-11-12-4-2-5-13(18)10-12/h2-7,10,16,19H,8-9,11H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 332.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).