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

C16H15Br2N — CID 61401280

IUPAC5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc(CNC2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C16H15Br2N/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10H2
InChIKeySEUUHOQQXATJPI-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 61401280) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID61401280
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc(CNC2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C16H15Br2N/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10H2
InChIKeySEUUHOQQXATJPI-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 61401434
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103851430
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 61401280) is 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Brc1cccc(CNC2CCc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SEUUHOQQXATJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10H2.
What are the key properties of 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 381.11 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61401280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).