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

C16H15Br2N — CID 43097516

IUPAC(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2N/c17-13-6-7-15(18)14(9-13)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3,19H2
InChIKeySGCNVLYUIZDDKN-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.75
Rot. Bonds2

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

(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43097516) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43097516
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2N/c17-13-6-7-15(18)14(9-13)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3,19H2
InChIKeySGCNVLYUIZDDKN-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43311398
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43097516) is (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is SGCNVLYUIZDDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-13-6-7-15(18)14(9-13)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3,19H2.
What are the key properties of (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 381.11 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43097516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).