1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

C17H17Br2N — CID 107979764

IUPAC1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17Br2N/c1-20-17(14-8-15(18)10-16(19)9-14)13-6-5-11-3-2-4-12(11)7-13/h5-10,17,20H,2-4H2,1H3
InChIKeyABIAUZUJZQAEBN-UHFFFAOYSA-N
MW395.14 g/mol
LogP5.01
Rot. Bonds3

About 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (PubChem CID 107979764) has the molecular formula C17H17Br2N and a molecular weight of 395.14 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
PubChem CID107979764
Molecular FormulaC17H17Br2N
Molecular Weight395.14 g/mol
Exact Mass392.97
IUPAC Name1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17Br2N/c1-20-17(14-8-15(18)10-16(19)9-14)13-6-5-11-3-2-4-12(11)7-13/h5-10,17,20H,2-4H2,1H3
InChIKeyABIAUZUJZQAEBN-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.14
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018724
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107987343
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (CID 107979764) is 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is CNC(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The InChIKey is ABIAUZUJZQAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2N/c1-20-17(14-8-15(18)10-16(19)9-14)13-6-5-11-3-2-4-12(11)7-13/h5-10,17,20H,2-4H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine has a molecular weight of 395.14 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is sourced from PubChem (CID 107979764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).