N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine

C18H19Br2N — CID 106892710

IUPACN-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H19Br2N/c1-2-21-18(16-11-15(19)7-8-17(16)20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18,21H,2,9-10H2,1H3
InChIKeyNRJRLWKNJJKYCQ-UHFFFAOYSA-N
MW409.17 g/mol
LogP5.28
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (PubChem CID 106892710) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
PubChem CID106892710
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC NameN-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H19Br2N/c1-2-21-18(16-11-15(19)7-8-17(16)20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18,21H,2,9-10H2,1H3
InChIKeyNRJRLWKNJJKYCQ-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65411327
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
N-[(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65410532
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
CID 105027844
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylpropan-1-amine
CID 65410925
N-[(2,5-dimethylfuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126538
N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (CID 106892710) is N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is CCNC(c1cc(Br)ccc1Br)C1Cc2ccccc2C1.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The InChIKey is NRJRLWKNJJKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-2-21-18(16-11-15(19)7-8-17(16)20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18,21H,2,9-10H2,1H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine has a molecular weight of 409.17 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is sourced from PubChem (CID 106892710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).